Molecule

ID:74738

General Information
Structure
MolImage
Molecular Formula
C₃H₃ClN₂
Molecular Mass
102.52232
Exact Mass
101.99847579
Charge
0
InChI
InChI=1S/C3H3ClN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
InChIKey
OCVXSFKKWXMYPF-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc[nH]1
Isomeric Smiles
[nH]1ccnc1Cl
Calculated Properties
JChem
Acid pKa
10.556106
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.7361528
LogD (pH = 7.4)
0.76806885
Log P
0.7687901
Molar Refractivity
24.0387
Polarizability
9.151576
Polar Surface Area
28.68
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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