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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.8
Van der Waals volume 151.98
Polar Surface Area 0
Van der Waals Surface Area 255.53
Refractivity 44.72

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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 11
Aromatic Bond Count 0
Asymmetric Atom Count 2
Bond Count 27
Chain Atom Count 3
Chain Bond Count 3
Chiral Center Count 2
Ring Atom Count 7
Ring Bond Count 8
Rotatable Bond Count 0
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 6
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 4
Smallest Ring System Size 2

 






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