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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.04
Van der Waals volume 209.87
Polar Surface Area 43.37
Van der Waals Surface Area 310.21
Refractivity 68.64

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ELEMENTAL PROPERTIESExact Mass 240.079
Isotope Formula C15H12O3
Dot Disconnected Formula C15H12O3
Dot Disconnected Isotope Formula C15H12O3
Composition C (74.99%), H (5.03%), O (19.98%)
Isotope Composition C (74.99%), H (5.03%), O (19.98%)
Donor Sites 0
Donor Count 0
Acceptor Sites 5
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count30
Aliphatic Atom Count 12
Aliphatic Bond Count 14
Aromatic Bond Count 6
Asymmetric Atom Count 1
Bond Count 32
Chain Atom Count 5
Chain Bond Count 5
Chiral Center Count 1
Ring Atom Count 13
Ring Bond Count 15
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 1
Carbo Ring Count 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 3

 






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