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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.77
Van der Waals volume 232.03
Polar Surface Area 107.22
Van der Waals Surface Area 336.69
Refractivity 73.66

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ELEMENTAL PROPERTIESExact Mass 286.048
Isotope Formula C15H10O6
Dot Disconnected Formula C15H10O6
Dot Disconnected Isotope Formula C15H10O6
Composition C (62.94%), H (3.52%), O (33.54%)
Isotope Composition C (62.94%), H (3.52%), O (33.54%)
Donor Sites 4
Donor Count 4
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count31
Aliphatic Atom Count 5
Aliphatic Bond Count 6
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 33
Chain Atom Count 5
Chain Bond Count 6
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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