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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.51
Van der Waals volume 193.73
Polar Surface Area 55.12
Van der Waals Surface Area 277.72
Refractivity 66.48

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ELEMENTAL PROPERTIESExact Mass 236.059
Isotope Formula C14H8N2O2
Dot Disconnected Formula C14H8N2O2
Dot Disconnected Isotope Formula C14H8N2O2
Composition C (71.18%), H (3.41%), N (11.86%), O (13.55%)
Isotope Composition C (71.18%), H (3.41%), N (11.86%), O (13.55%)
Donor Sites 1
Donor Count 1
Acceptor Sites 4
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count26
Aliphatic Atom Count 2
Aliphatic Bond Count 2
Aromatic Bond Count 19
Asymmetric Atom Count 0
Bond Count 29
Chain Atom Count 2
Chain Bond Count 2
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 19
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 4
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 4
Fused Ring Count 4
Hetero Ring Count 3
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 3
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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