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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.32
Van der Waals volume 208.26
Polar Surface Area 17.07
Van der Waals Surface Area 341.24
Refractivity 62.09

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ELEMENTAL PROPERTIESExact Mass 192.151
Isotope Formula C13H20O
Dot Disconnected Formula C13H20O
Dot Disconnected Isotope Formula C13H20O
Composition C (81.2%), H (10.48%), O (8.32%)
Isotope Composition C (81.2%), H (10.48%), O (8.32%)
Donor Sites 0
Donor Count 0
Acceptor Sites 2
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count34
Aliphatic Atom Count 14
Aliphatic Bond Count 14
Aromatic Bond Count 0
Asymmetric Atom Count 1
Bond Count 34
Chain Atom Count 8
Chain Bond Count 8
Chiral Center Count 1
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 2
Stereo Double Bond Count 1
Aliphatic Ring Count 1
Aromatic Ring Count 0
Carbo Ring Count 1
Carboaliphatic Ring Count 1
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 6
Largest Ring System Size 1
Ring Count 1
Smallest Ring Size 6
Smallest Ring System Size 1

 






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