Molecule

ID:91938

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁ClN₂
Molecular Mass
170.63934
Exact Mass
170.06107604
Charge
0
InChI
InChI=1S/C8H10N2.ClH/c1-6-3-2-4-7(5-6)8(9)10;/h2-5H,1H3,(H3,9,10);1H
InChIKey
QEAXZIMXYPAZAX-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)C(=N)N.Cl
Isomeric Smiles
N=C(c1cc(ccc1)C)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.0082386
LogD (pH = 7.4)
-1.0016587
Log P
1.4071357
Molar Refractivity
52.7717
Polarizability
15.795361
Polar Surface Area
49.87
Rotatable Bonds
1
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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