Molecule

ID:37131

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)4-2-1-3-8-4;/h1-3H,(H3,6,7);1H
InChIKey
BTQGDMLCRXCBGR-UHFFFAOYSA-N
Canonic Smiles
NC(=N)c1ccco1.Cl
Isomeric Smiles
c1(C(=N)N)occc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.7170031
LogD (pH = 7.4)
-0.276444
Log P
-0.046039067
Molar Refractivity
40.1214
Polarizability
10.911751
Polar Surface Area
63.01
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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