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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.66
Van der Waals volume 178.99
Polar Surface Area 20.23
Van der Waals Surface Area 313.35
Refractivity 47.45

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ELEMENTAL PROPERTIESExact Mass 156.151
Isotope Formula C10H20O
Dot Disconnected Formula C10H20O
Dot Disconnected Isotope Formula C10H20O
Composition C (76.86%), H (12.9%), O (10.24%)
Isotope Composition C (76.86%), H (12.9%), O (10.24%)
Donor Sites 1
Donor Count 1
Acceptor Sites 1
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count31
Aliphatic Atom Count 11
Aliphatic Bond Count 11
Aromatic Bond Count 0
Asymmetric Atom Count 3
Bond Count 31
Chain Atom Count 5
Chain Bond Count 5
Chiral Center Count 3
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 0
Carbo Ring Count 1
Carboaliphatic Ring Count 1
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 6
Largest Ring System Size 1
Ring Count 1
Smallest Ring Size 6
Smallest Ring System Size 1

 






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