Molecule

ID:74137

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅ClN₂
Molecular Mass
186.6818
Exact Mass
186.09237617
Charge
0
InChI
InChI=1S/C9H14N2.ClH/c1-7(2)8-4-3-5-9(6-8)11-10;/h3-7,11H,10H2,1-2H3;1H
InChIKey
BYJCRUCIXAVEBY-UHFFFAOYSA-N
Canonic Smiles
NNc1cccc(c1)C(C)C.Cl
Isomeric Smiles
N(c1cc(ccc1)C(C)C)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3683116
LogD (pH = 7.4)
2.6058457
Log P
2.6098976
Molar Refractivity
49.9555
Polarizability
18.36348
Polar Surface Area
38.05
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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