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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.21
Van der Waals volume 162.06
Polar Surface Area 46.53
Van der Waals Surface Area 252.91
Refractivity 49.81

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ELEMENTAL PROPERTIESExact Mass 178.063
Isotope Formula C10H10O3
Dot Disconnected Formula C10H10O3
Dot Disconnected Isotope Formula C10H10O3
Composition C (67.41%), H (5.66%), O (26.94%)
Isotope Composition C (67.41%), H (5.66%), O (26.94%)
Donor Sites 1
Donor Count 1
Acceptor Sites 3
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count23
Aliphatic Atom Count 7
Aliphatic Bond Count 7
Aromatic Bond Count 6
Asymmetric Atom Count 0
Bond Count 23
Chain Atom Count 7
Chain Bond Count 7
Chiral Center Count 0
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 3
Stereo Double Bond Count 1
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.