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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.62
Van der Waals volume 231.26
Polar Surface Area 63.6
Van der Waals Surface Area 358.49
Refractivity 74.64

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ELEMENTAL PROPERTIESExact Mass 268.074
Isotope Formula C16H12O4
Dot Disconnected Formula C16H12O4
Dot Disconnected Isotope Formula C16H12O4
Composition C (71.64%), H (4.51%), O (23.86%)
Isotope Composition C (71.64%), H (4.51%), O (23.86%)
Donor Sites 1
Donor Count 1
Acceptor Sites 6
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count32
Aliphatic Atom Count 8
Aliphatic Bond Count 10
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 34
Chain Atom Count 6
Chain Bond Count 6
Chiral Center Count 0
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 2
Carbo Ring Count 3
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 3

 






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