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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.11
Van der Waals volume 272.15
Polar Surface Area 78.13
Van der Waals Surface Area 428.02
Refractivity 85.54

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ELEMENTAL PROPERTIESExact Mass 326.079
Isotope Formula C18H14O6
Dot Disconnected Formula C18H14O6
Dot Disconnected Isotope Formula C18H14O6
Composition C (66.26%), H (4.32%), O (29.42%)
Isotope Composition C (66.26%), H (4.32%), O (29.42%)
Donor Sites 1
Donor Count 1
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count38
Aliphatic Atom Count 9
Aliphatic Bond Count 11
Aromatic Bond Count 16
Asymmetric Atom Count 0
Bond Count 41
Chain Atom Count 6
Chain Bond Count 7
Chiral Center Count 0
Ring Atom Count 18
Ring Bond Count 20
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 2

 






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