Molecule

ID:55144

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClN
Molecular Mass
183.67786
Exact Mass
183.08147713
Charge
0
InChI
InChI=1S/C10H13N.ClH/c11-10(6-7-10)8-9-4-2-1-3-5-9;/h1-5H,6-8,11H2;1H
InChIKey
KTRHVKWMJCVUJP-UHFFFAOYSA-N
Canonic Smiles
NC1(CC1)Cc1ccccc1.Cl
Isomeric Smiles
C1C(C1)(Cc1ccccc1)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2369816
LogD (pH = 7.4)
-0.59668463
Log P
1.7770087
Molar Refractivity
46.3872
Polarizability
18.46505
Polar Surface Area
26.02
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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