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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.03
Van der Waals volume 163.7
Polar Surface Area 20.23
Van der Waals Surface Area 262.33
Refractivity 48.35

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ELEMENTAL PROPERTIESExact Mass 152.12
Isotope Formula C10H16O
Dot Disconnected Formula C10H16O
Dot Disconnected Isotope Formula C10H16O
Composition C (78.9%), H (10.59%), O (10.51%)
Isotope Composition C (78.9%), H (10.59%), O (10.51%)
Donor Sites 1
Donor Count 1
Acceptor Sites 1
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count27
Aliphatic Atom Count 11
Aliphatic Bond Count 11
Aromatic Bond Count 0
Asymmetric Atom Count 2
Bond Count 27
Chain Atom Count 5
Chain Bond Count 5
Chiral Center Count 2
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.