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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.58
Van der Waals volume 236.65
Polar Surface Area 75.21
Van der Waals Surface Area 378.89
Refractivity 73.26

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ELEMENTAL PROPERTIESExact Mass 270.1
Isotope Formula C15H14N2O3
Dot Disconnected Formula C15H14N2O3
Dot Disconnected Isotope Formula C15H14N2O3
Composition C (66.66%), H (5.22%), N (10.36%), O (17.76%)
Isotope Composition C (66.66%), H (5.22%), N (10.36%), O (17.76%)
Donor Sites 2
Donor Count 2
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count34
Aliphatic Atom Count 7
Aliphatic Bond Count 7
Aromatic Bond Count 15
Asymmetric Atom Count 0
Bond Count 36
Chain Atom Count 7
Chain Bond Count 7
Chiral Center Count 0
Ring Atom Count 13
Ring Bond Count 15
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 3
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 3
Fused Ring Count 3
Hetero Ring Count 2
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 2
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 3

 






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