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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.61
Van der Waals volume 159.96
Polar Surface Area 29.46
Van der Waals Surface Area 257.81
Refractivity 48.79

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ELEMENTAL PROPERTIESExact Mass 164.084
Isotope Formula C10H12O2
Dot Disconnected Formula C10H12O2
Dot Disconnected Isotope Formula C10H12O2
Composition C (73.15%), H (7.37%), O (19.49%)
Isotope Composition C (73.15%), H (7.37%), O (19.49%)
Donor Sites 1
Donor Count 1
Acceptor Sites 2
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count24
Aliphatic Atom Count 6
Aliphatic Bond Count 6
Aromatic Bond Count 6
Asymmetric Atom Count 0
Bond Count 24
Chain Atom Count 6
Chain Bond Count 6
Chiral Center Count 0
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 1
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
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.