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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.24
Van der Waals volume 187.81
Polar Surface Area 26.3
Van der Waals Surface Area 292.29
Refractivity 57.57

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ELEMENTAL PROPERTIESExact Mass 180.115
Isotope Formula C11H16O2
Dot Disconnected Formula C11H16O2
Dot Disconnected Isotope Formula C11H16O2
Composition C (73.3%), H (8.95%), O (17.75%)
Isotope Composition C (73.3%), H (8.95%), O (17.75%)
Donor Sites 0
Donor Count 0
Acceptor Sites 2
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count29
Aliphatic Atom Count 13
Aliphatic Bond Count 12
Aromatic Bond Count 0
Asymmetric Atom Count 0
Bond Count 28
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.