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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.89
Van der Waals volume 235.83
Polar Surface Area 26.3
Van der Waals Surface Area 415.61
Refractivity 64.26

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ELEMENTAL PROPERTIESExact Mass 212.178
Isotope Formula C13H24O2
Dot Disconnected Formula C13H24O2
Dot Disconnected Isotope Formula C13H24O2
Composition C (73.54%), H (11.39%), O (15.07%)
Isotope Composition C (73.54%), H (11.39%), O (15.07%)
Donor Sites 0
Donor Count 0
Acceptor Sites 2
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count39
Aliphatic Atom Count 15
Aliphatic Bond Count 14
Aromatic Bond Count 0
Asymmetric Atom Count 1
Bond Count 38
Chain Atom Count 15
Chain Bond Count 14
Chiral Center Count 1
Ring Atom Count 0
Ring Bond Count 0
Rotatable Bond Count 8
Stereo Double Bond Count 0
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.