Molecule

ID:61013

General Information
Structure
MolImage
Molecular Formula
C₆H₉ClN₂
Molecular Mass
144.60206
Exact Mass
144.04542598
Charge
0
InChI
InChI=1S/C6H8N2.ClH/c1-2-5-4-7-8-6(5)3-1;/h4H,1-3H2,(H,7,8);1H
InChIKey
KYVKQPXIUOSMHV-UHFFFAOYSA-N
Canonic Smiles
C1Cc2c(C1)c[nH]n2.Cl
Isomeric Smiles
c12c(CCC1)n[nH]c2.Cl
Calculated Properties
JChem
Acid pKa
15.584605
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.0488286
LogD (pH = 7.4)
1.0492042
Log P
1.049209
Molar Refractivity
32.6581
Polarizability
11.772012
Polar Surface Area
28.68
Rotatable Bonds
0
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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