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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -2.8
Van der Waals volume 201.19
Polar Surface Area 128.61
Van der Waals Surface Area 297.2
Refractivity 54.54

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ELEMENTAL PROPERTIESExact Mass 243.086
Isotope Formula C9H13N3O5
Dot Disconnected Formula C9H13N3O5
Dot Disconnected Isotope Formula C9H13N3O5
Composition C (44.44%), H (5.39%), N (17.28%), O (32.89%)
Isotope Composition C (44.44%), H (5.39%), N (17.28%), O (32.89%)
Donor Sites 5
Donor Count 4
Acceptor Sites 8
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count30
Aliphatic Atom Count 11
Aliphatic Bond Count 12
Aromatic Bond Count 6
Asymmetric Atom Count 4
Bond Count 31
Chain Atom Count 6
Chain Bond Count 7
Chiral Center Count 4
Ring Atom Count 11
Ring Bond Count 11
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 1
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 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 2
Smallest Ring Size 5
Smallest Ring System Size 1

 






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