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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.31
Van der Waals volume 252.14
Polar Surface Area 20.23
Van der Waals Surface Area 418.59
Refractivity 74.01

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ELEMENTAL PROPERTIESExact Mass 222.198
Isotope Formula C15H26O
Dot Disconnected Formula C15H26O
Dot Disconnected Isotope Formula C15H26O
Composition C (81.02%), H (11.79%), O (7.2%)
Isotope Composition C (81.02%), H (11.79%), O (7.2%)
Donor Sites 1
Donor Count 1
Acceptor Sites 1
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count42
Aliphatic Atom Count 16
Aliphatic Bond Count 15
Aromatic Bond Count 0
Asymmetric Atom Count 1
Bond Count 41
Chain Atom Count 16
Chain Bond Count 15
Chiral Center Count 1
Ring Atom Count 0
Ring Bond Count 0
Rotatable Bond Count 7
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.