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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.49
Van der Waals volume 135.28
Polar Surface Area 34.14
Van der Waals Surface Area 195.39
Refractivity 46.18

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ELEMENTAL PROPERTIESExact Mass 158.037
Isotope Formula C10H6O2
Dot Disconnected Formula C10H6O2
Dot Disconnected Isotope Formula C10H6O2
Composition C (75.94%), H (3.82%), O (20.23%)
Isotope Composition C (75.94%), H (3.82%), O (20.23%)
Donor Sites 0
Donor Count 0
Acceptor Sites 4
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count18
Aliphatic Atom Count 6
Aliphatic Bond Count 7
Aromatic Bond Count 6
Asymmetric Atom Count 0
Bond Count 19
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 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
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.