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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.09
Van der Waals volume 244.74
Polar Surface Area 26.3
Van der Waals Surface Area 420.86
Refractivity 69.56

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ELEMENTAL PROPERTIESExact Mass 224.178
Isotope Formula C14H24O2
Dot Disconnected Formula C14H24O2
Dot Disconnected Isotope Formula C14H24O2
Composition C (74.95%), H (10.78%), O (14.26%)
Isotope Composition C (74.95%), H (10.78%), O (14.26%)
Donor Sites 0
Donor Count 0
Acceptor Sites 2
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count40
Aliphatic Atom Count 16
Aliphatic Bond Count 15
Aromatic Bond Count 0
Asymmetric Atom Count 0
Bond Count 39
Chain Atom Count 16
Chain Bond Count 15
Chiral Center Count 0
Ring Atom Count 0
Ring Bond Count 0
Rotatable Bond Count 8
Stereo Double Bond Count 1
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.