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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.32
Van der Waals volume 160.6
Polar Surface Area 55.76
Van der Waals Surface Area 245.16
Refractivity 49.99

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ELEMENTAL PROPERTIESExact Mass 192.042
Isotope Formula C10H8O4
Dot Disconnected Formula C10H8O4
Dot Disconnected Isotope Formula C10H8O4
Composition C (62.5%), H (4.2%), O (33.3%)
Isotope Composition C (62.5%), H (4.2%), O (33.3%)
Donor Sites 1
Donor Count 1
Acceptor Sites 4
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count22
Aliphatic Atom Count 4
Aliphatic Bond Count 4
Aromatic Bond Count 11
Asymmetric Atom Count 0
Bond Count 23
Chain Atom Count 4
Chain Bond Count 4
Chiral Center Count 0
Ring Atom Count 10
Ring Bond Count 11
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 2
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
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.