Molecule

ID:83132

General Information
Structure
MolImage
Molecular Formula
C₅H₇ClN₂O
Molecular Mass
146.57488
Exact Mass
146.02469053
Charge
0
InChI
InChI=1S/C5H6N2O.ClH/c6-5(7)4-1-2-8-3-4;/h1-3H,(H3,6,7);1H
InChIKey
RJLCJJIXGGSRPZ-UHFFFAOYSA-N
Canonic Smiles
NC(=N)c1cocc1.Cl
Isomeric Smiles
N=C(c1cocc1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.3588922
LogD (pH = 7.4)
-1.6674374
Log P
0.03395981
Molar Refractivity
40.2439
Polarizability
10.9080305
Polar Surface Area
63.01
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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