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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.6
Van der Waals volume 191.05
Polar Surface Area 97.46
Van der Waals Surface Area 274.13
Refractivity 61.41

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ELEMENTAL PROPERTIESExact Mass 231.053
Isotope Formula C12H9NO4
Dot Disconnected Formula C12H9NO4
Dot Disconnected Isotope Formula C12H9NO4
Composition C (62.34%), H (3.92%), N (6.06%), O (27.68%)
Isotope Composition C (62.34%), H (3.92%), N (6.06%), O (27.68%)
Donor Sites 3
Donor Count 2
Acceptor Sites 8
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count26
Aliphatic Atom Count 11
Aliphatic Bond Count 12
Aromatic Bond Count 6
Asymmetric Atom Count 0
Bond Count 27
Chain Atom Count 7
Chain Bond Count 7
Chiral Center Count 0
Ring Atom Count 10
Ring Bond Count 11
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 1
Carbo Ring Count 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 2

 






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