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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.43
Van der Waals volume 204.52
Polar Surface Area 26.3
Van der Waals Surface Area 358.22
Refractivity 54.47

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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 15
Aromatic Bond Count 0
Asymmetric Atom Count 3
Bond Count 35
Chain Atom Count 7
Chain Bond Count 7
Chiral Center Count 3
Ring Atom Count 7
Ring Bond Count 8
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 5
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.