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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.52
Van der Waals volume 175.1
Polar Surface Area 35.53
Van der Waals Surface Area 297.31
Refractivity 52.65

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ELEMENTAL PROPERTIESExact Mass 192.079
Isotope Formula C11H12O3
Dot Disconnected Formula C11H12O3
Dot Disconnected Isotope Formula C11H12O3
Composition C (68.74%), H (6.29%), O (24.97%)
Isotope Composition C (68.74%), H (6.29%), O (24.97%)
Donor Sites 0
Donor Count 0
Acceptor Sites 4
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count26
Aliphatic Atom Count 8
Aliphatic Bond Count 9
Aromatic Bond Count 6
Asymmetric Atom Count 0
Bond Count 27
Chain Atom Count 5
Chain Bond Count 5
Chiral Center Count 0
Ring Atom Count 9
Ring Bond Count 10
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 1
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 2
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 5
Smallest Ring System Size 2

 






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