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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.6
Van der Waals volume 220.18
Polar Surface Area 56.69
Van der Waals Surface Area 331.77
Refractivity 74.94

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ELEMENTAL PROPERTIESExact Mass 266.069
Isotope Formula C15H10N2O3
Dot Disconnected Formula C15H10N2O3
Dot Disconnected Isotope Formula C15H10N2O3
Composition C (67.67%), H (3.79%), N (10.52%), O (18.03%)
Isotope Composition C (67.67%), H (3.79%), N (10.52%), O (18.03%)
Donor Sites 0
Donor Count 0
Acceptor Sites 5
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count30
Aliphatic Atom Count 4
Aliphatic Bond Count 4
Aromatic Bond Count 19
Asymmetric Atom Count 0
Bond Count 33
Chain Atom Count 4
Chain Bond Count 4
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 19
Rotatable Bond Count 1
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.