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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.78
Van der Waals volume 231.83
Polar Surface Area 0
Van der Waals Surface Area 383.71
Refractivity 71.09

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ELEMENTAL PROPERTIESExact Mass 204.188
Isotope Formula C15H24
Dot Disconnected Formula C15H24
Dot Disconnected Isotope Formula C15H24
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 Count39
Aliphatic Atom Count 15
Aliphatic Bond Count 15
Aromatic Bond Count 0
Asymmetric Atom Count 0
Bond Count 39
Chain Atom Count 9
Chain Bond Count 9
Chiral Center Count 0
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 3
Stereo Double Bond Count 1
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.