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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.33
Van der Waals volume 253.95
Polar Surface Area 83.91
Van der Waals Surface Area 366.92
Refractivity 80.6

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ELEMENTAL PROPERTIESExact Mass 299.079
Isotope Formula C16H13NO5
Dot Disconnected Formula C16H13NO5
Dot Disconnected Isotope Formula C16H13NO5
Composition C (64.21%), H (4.38%), N (4.68%), O (26.73%)
Isotope Composition C (64.21%), H (4.38%), N (4.68%), O (26.73%)
Donor Sites 1
Donor Count 1
Acceptor Sites 8
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count35
Aliphatic Atom Count 10
Aliphatic Bond Count 12
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 37
Chain Atom Count 8
Chain Bond Count 8
Chiral Center Count 0
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 2
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 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 3

 






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