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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.15
Van der Waals volume 167.7
Polar Surface Area 20.23
Van der Waals Surface Area 293.85
Refractivity 45.16

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ELEMENTAL PROPERTIESExact Mass 154.136
Isotope Formula C10H18O
Dot Disconnected Formula C10H18O
Dot Disconnected Isotope Formula C10H18O
Composition C (77.87%), H (11.76%), O (10.37%)
Isotope Composition C (77.87%), H (11.76%), O (10.37%)
Donor Sites 1
Donor Count 1
Acceptor Sites 1
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count29
Aliphatic Atom Count 11
Aliphatic Bond Count 12
Aromatic Bond Count 0
Asymmetric Atom Count 3
Bond Count 30
Chain Atom Count 4
Chain Bond Count 4
Chiral Center Count 3
Ring Atom Count 7
Ring Bond Count 8
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 5
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 5
Smallest Ring System Size 2

 






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