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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.32
Van der Waals volume 219.86
Polar Surface Area 133.52
Van der Waals Surface Area 319.91
Refractivity 70.61

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ELEMENTAL PROPERTIESExact Mass 302.006
Isotope Formula C14H6O8
Dot Disconnected Formula C14H6O8
Dot Disconnected Isotope Formula C14H6O8
Composition C (55.64%), H (2%), O (42.36%)
Isotope Composition C (55.64%), H (2%), O (42.36%)
Donor Sites 4
Donor Count 4
Acceptor Sites 8
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count28
Aliphatic Atom Count 6
Aliphatic Bond Count 6
Aromatic Bond Count 19
Asymmetric Atom Count 0
Bond Count 31
Chain Atom Count 6
Chain Bond Count 6
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 19
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 4
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 4
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 2
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 4

 






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