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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.26
Van der Waals volume 155.24
Polar Surface Area 0
Van der Waals Surface Area 249.02
Refractivity 46.75

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ELEMENTAL PROPERTIESExact Mass 136.125
Isotope Formula C10H16
Dot Disconnected Formula C10H16
Dot Disconnected Isotope Formula C10H16
Composition C (88.16%), H (11.84%)
Isotope Composition C (88.16%), H (11.84%)
Donor Sites 0
Donor Count 0
Acceptor Sites 0
Acceptor Count 0


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TOPOLOGICAL PROPERTIESAtom Count26
Aliphatic Atom Count 10
Aliphatic Bond Count 10
Aromatic Bond Count 0
Asymmetric Atom Count 1
Bond Count 26
Chain Atom Count 4
Chain Bond Count 4
Chiral Center Count 1
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 0
Carbo Ring Count 1
Carboaliphatic Ring Count 1
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 6
Largest Ring System Size 1
Ring Count 1
Smallest Ring Size 6
Smallest Ring System Size 1

 






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