NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.83
Van der Waals volume 209.16
Polar Surface Area 65.98
Van der Waals Surface Area 330.93
Refractivity 66.8

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ELEMENTAL PROPERTIESExact Mass 240.09
Isotope Formula C14H12N2O2
Dot Disconnected Formula C14H12N2O2
Dot Disconnected Isotope Formula C14H12N2O2
Composition C (69.99%), H (5.03%), N (11.66%), O (13.32%)
Isotope Composition C (69.99%), H (5.03%), N (11.66%), O (13.32%)
Donor Sites 2
Donor Count 2
Acceptor Sites 4
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count30
Aliphatic Atom Count 5
Aliphatic Bond Count 5
Aromatic Bond Count 15
Asymmetric Atom Count 0
Bond Count 32
Chain Atom Count 5
Chain Bond Count 5
Chiral Center Count 0
Ring Atom Count 13
Ring Bond Count 15
Rotatable Bond Count 3
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.