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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.95
Van der Waals volume 244.38
Polar Surface Area 63.68
Van der Waals Surface Area 359.02
Refractivity 78.82

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ELEMENTAL PROPERTIESExact Mass 283.084
Isotope Formula C16H13NO4
Dot Disconnected Formula C16H13NO4
Dot Disconnected Isotope Formula C16H13NO4
Composition C (67.84%), H (4.63%), N (4.94%), O (22.59%)
Isotope Composition C (67.84%), H (4.63%), N (4.94%), O (22.59%)
Donor Sites 0
Donor Count 0
Acceptor Sites 7
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count34
Aliphatic Atom Count 9
Aliphatic Bond Count 11
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 36
Chain Atom Count 7
Chain Bond Count 7
Chiral Center Count 0
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 1
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.