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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.15
Van der Waals volume 259.72
Polar Surface Area 20.23
Van der Waals Surface Area 384.68
Refractivity 81.31

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ELEMENTAL PROPERTIESExact Mass 242.167
Isotope Formula C17H22O
Dot Disconnected Formula C17H22O
Dot Disconnected Isotope Formula C17H22O
Composition C (84.25%), H (9.15%), O (6.6%)
Isotope Composition C (84.25%), H (9.15%), O (6.6%)
Donor Sites 1
Donor Count 1
Acceptor Sites 1
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count40
Aliphatic Atom Count 18
Aliphatic Bond Count 17
Aromatic Bond Count 0
Asymmetric Atom Count 1
Bond Count 39
Chain Atom Count 18
Chain Bond Count 17
Chiral Center Count 1
Ring Atom Count 0
Ring Bond Count 0
Rotatable Bond Count 11
Stereo Double Bond Count 1
Aliphatic Ring Count 0
Aromatic Ring Count 0
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 0
Largest Ring System Size 0
Ring Count 0
Smallest Ring Size 0
Smallest Ring System Size 0

 






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