Molecule

ID:37491

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClN₂
Molecular Mass
222.7139
Exact Mass
222.09237617
Charge
0
InChI
InChI=1S/C12H14N2.ClH/c1-14-9-5-8-11(14)12(13)10-6-3-2-4-7-10;/h2-9,12H,13H2,1H3;1H
InChIKey
ZUEQUYZCMHYCOE-UHFFFAOYSA-N
Canonic Smiles
Cn1cccc1C(c1ccccc1)N.Cl
Isomeric Smiles
c1cccc(c1)C(c1cccn1C)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.6546906
LogD (pH = 7.4)
0.89273965
Log P
2.1068158
Molar Refractivity
58.3472
Polarizability
22.801064
Polar Surface Area
30.95
Rotatable Bonds
2
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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