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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.39
Van der Waals volume 227.06
Polar Surface Area 0
Van der Waals Surface Area 386.66
Refractivity 69.09

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ELEMENTAL PROPERTIESExact Mass 202.172
Isotope Formula C15H22
Dot Disconnected Formula C15H22
Dot Disconnected Isotope Formula C15H22
Composition C (89.04%), H (10.96%)
Isotope Composition C (89.04%), H (10.96%)
Donor Sites 0
Donor Count 0
Acceptor Sites 0
Acceptor Count 0


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TOPOLOGICAL PROPERTIESAtom Count37
Aliphatic Atom Count 9
Aliphatic Bond Count 9
Aromatic Bond Count 6
Asymmetric Atom Count 1
Bond Count 37
Chain Atom Count 9
Chain Bond Count 9
Chiral Center Count 1
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 1
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
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.