Molecule

ID:34261

General Information
Structure
Molecular Formula
C₁₀H₁₄ClN
Molecular Mass
183.67786
Exact Mass
183.08147713
Charge
0
InChI
InChI=1S/C10H13N.ClH/c1-11-10-6-8-4-2-3-5-9(8)7-10;/h2-5,10-11H,6-7H2,1H3;1H
InChIKey
HXNHHRJNFKMLPP-UHFFFAOYSA-N
Canonic Smiles
CNC1Cc2c(C1)cccc2.Cl
Isomeric Smiles
c12c(CC(C1)NC)cccc2.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3029957
LogD (pH = 7.4)
-0.66248924
Log P
1.9199114
Molar Refractivity
47.0408
Polarizability
18.381376
Polar Surface Area
12.03
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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