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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.94
Van der Waals volume 210.96
Polar Surface Area 26.3
Van der Waals Surface Area 357.1
Refractivity 60.33

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ELEMENTAL PROPERTIESExact Mass 196.146
Isotope Formula C12H20O2
Dot Disconnected Formula C12H20O2
Dot Disconnected Isotope Formula C12H20O2
Composition C (73.43%), H (10.27%), O (16.3%)
Isotope Composition C (73.43%), H (10.27%), O (16.3%)
Donor Sites 0
Donor Count 0
Acceptor Sites 2
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count34
Aliphatic Atom Count 14
Aliphatic Bond Count 13
Aromatic Bond Count 0
Asymmetric Atom Count 0
Bond Count 33
Chain Atom Count 14
Chain Bond Count 13
Chiral Center Count 0
Ring Atom Count 0
Ring Bond Count 0
Rotatable Bond Count 6
Stereo Double Bond Count 1
Aliphatic Ring Count 0
Aromatic Ring Count 0
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 0
Largest Ring System Size 0
Ring Count 0
Smallest Ring Size 0
Smallest Ring System Size 0

 






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