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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.65
Van der Waals volume 204.74
Polar Surface Area 0
Van der Waals Surface Area 314.36
Refractivity 64.69

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ELEMENTAL PROPERTIESExact Mass 176.156
Isotope Formula C13H20
Dot Disconnected Formula C13H20
Dot Disconnected Isotope Formula C13H20
Composition C (88.57%), H (11.43%)
Isotope Composition C (88.57%), H (11.43%)
Donor Sites 0
Donor Count 0
Acceptor Sites 0
Acceptor Count 0


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TOPOLOGICAL PROPERTIESAtom Count33
Aliphatic Atom Count 13
Aliphatic Bond Count 12
Aromatic Bond Count 0
Asymmetric Atom Count 0
Bond Count 32
Chain Atom Count 13
Chain Bond Count 12
Chiral Center Count 0
Ring Atom Count 0
Ring Bond Count 0
Rotatable Bond Count 6
Stereo Double Bond Count 3
Aliphatic Ring Count 0
Aromatic Ring Count 0
Carbo Ring Count 0
Carboaliphatic Ring Count 0
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 0
Largest Ring System Size 0
Ring Count 0
Smallest Ring Size 0
Smallest Ring System Size 0

 






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