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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.55
Van der Waals volume 161.31
Polar Surface Area 17.07
Van der Waals Surface Area 284.23
Refractivity 44.49

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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 0
Donor Count 0
Acceptor Sites 2
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count27
Aliphatic Atom Count 11
Aliphatic Bond Count 12
Aromatic Bond Count 0
Asymmetric Atom Count 2
Bond Count 28
Chain Atom Count 4
Chain Bond Count 4
Chiral Center Count 2
Ring Atom Count 7
Ring Bond Count 8
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 5
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 5
Smallest Ring System Size 2

 






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