Molecule

ID:69231

General Information
Structure
Molecular Formula
C₁₀H₁₄ClN
Molecular Mass
183.67786
Exact Mass
183.08147713
Charge
0
InChI
InChI=1S/C10H13N.ClH/c1-8-4-2-6-10-9(8)5-3-7-11-10;/h2,4,6,11H,3,5,7H2,1H3;1H
InChIKey
WROVTJRERLFXPX-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc2c1CCCN2.Cl
Isomeric Smiles
N1CCCc2c(cccc12)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3158348
LogD (pH = 7.4)
2.4420295
Log P
2.4439025
Molar Refractivity
49.2036
Polarizability
17.978336
Polar Surface Area
12.03
Rotatable Bonds
0
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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