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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.9
Van der Waals volume 288.01
Polar Surface Area 37.3
Van der Waals Surface Area 462.98
Refractivity 84.37

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ELEMENTAL PROPERTIESExact Mass 272.178
Isotope Formula C18H24O2
Dot Disconnected Formula C18H24O2
Dot Disconnected Isotope Formula C18H24O2
Composition C (79.37%), H (8.88%), O (11.75%)
Isotope Composition C (79.37%), H (8.88%), O (11.75%)
Donor Sites 1
Donor Count 1
Acceptor Sites 3
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count44
Aliphatic Atom Count 20
Aliphatic Bond Count 19
Aromatic Bond Count 0
Asymmetric Atom Count 0
Bond Count 43
Chain Atom Count 20
Chain Bond Count 19
Chiral Center Count 0
Ring Atom Count 0
Ring Bond Count 0
Rotatable Bond Count 13
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.