Molecule

ID:90097

General Information
Structure
MolImage
Molecular Formula
C₆H₉ClN₂
Molecular Mass
144.60206
Exact Mass
144.04542598
Charge
0
InChI
InChI=1S/C6H8N2.ClH/c1-5-2-6(7)4-8-3-5;/h2-4H,7H2,1H3;1H
InChIKey
ANOSXCQXGIARSG-UHFFFAOYSA-N
Canonic Smiles
Cc1cncc(c1)N.Cl
Isomeric Smiles
n1cc(cc(c1)C)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.19258697
LogD (pH = 7.4)
0.41218418
Log P
0.4400688
Molar Refractivity
33.6427
Polarizability
12.334603
Polar Surface Area
38.91
Rotatable Bonds
0
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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