NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.92
Van der Waals volume 260.54
Polar Surface Area 144.52
Van der Waals Surface Area 0
Refractivity 94.32

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ELEMENTAL PROPERTIESExact Mass 317.066
Isotope Formula C16H13O7
Dot Disconnected Formula C16H13O7
Dot Disconnected Isotope Formula C16H13O7
Composition C (60.57%), H (4.13%), O (35.3%)
Isotope Composition C (60.57%), H (4.13%), O (35.3%)
Donor Sites 0
Donor Count 0
Acceptor Sites 0
Acceptor Count 0


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TOPOLOGICAL PROPERTIESAtom Count36
Aliphatic Atom Count 7
Aliphatic Bond Count 8
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 38
Chain Atom Count 7
Chain Bond Count 8
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 0
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 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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