Molecule
ID:33682
General Information
Molecular Formula
C₅H₇ClN₂
Molecular Mass
130.57548
Exact Mass
130.02977591
Charge
0
InChI
InChI=1S/C5H7ClN2/c1-4-5(6)3-7-8(4)2/h3H,1-2H3
InChIKey
RWTRCMOQRZZLML-UHFFFAOYSA-N
Canonic Smiles
Cc1c(Cl)cnn1C
Isomeric Smiles
n1n(c(c(c1)Cl)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.20466
LogD (pH = 7.4)
1.2047112
Log P
1.2047119
Molar Refractivity
44.9159
Polarizability
12.589781
Polar Surface Area
17.82
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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