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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.82
Van der Waals volume 149.75
Polar Surface Area 26.3
Van der Waals Surface Area 246.87
Refractivity 46.11

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ELEMENTAL PROPERTIESExact Mass 162.068
Isotope Formula C10H10O2
Dot Disconnected Formula C10H10O2
Dot Disconnected Isotope Formula C10H10O2
Composition C (74.06%), H (6.21%), O (19.73%)
Isotope Composition C (74.06%), H (6.21%), O (19.73%)
Donor Sites 0
Donor Count 0
Acceptor Sites 3
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count22
Aliphatic Atom Count 6
Aliphatic Bond Count 7
Aromatic Bond Count 6
Asymmetric Atom Count 0
Bond Count 23
Chain Atom Count 2
Chain Bond Count 2
Chiral Center Count 0
Ring Atom Count 10
Ring Bond Count 11
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 1
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 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 2

 






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