NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.66
Van der Waals volume 94.26
Polar Surface Area 58.2
Van der Waals Surface Area 134.97
Refractivity 26.17

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ELEMENTAL PROPERTIESExact Mass 130.018
Isotope Formula C4H3FN2O2
Dot Disconnected Formula C4H3FN2O2
Dot Disconnected Isotope Formula C4H3FN2O2
Composition C (36.93%), H (2.32%), F (14.61%), N (21.54%), O (24.6%)
Isotope Composition C (36.93%), H (2.32%), F (14.61%), N (21.54%), O (24.6%)
Donor Sites 2
Donor Count 2
Acceptor Sites 4
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count12
Aliphatic Atom Count 3
Aliphatic Bond Count 3
Aromatic Bond Count 6
Asymmetric Atom Count 0
Bond Count 12
Chain Atom Count 3
Chain Bond Count 3
Chiral Center Count 0
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 1
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 1
Smallest Ring Size 6
Smallest Ring System Size 1

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.