Molecule

ID:30248

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClN
Molecular Mass
183.67786
Exact Mass
183.08147713
Charge
0
InChI
InChI=1S/C10H14ClN/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-8H,2-3,12H2,1H3
InChIKey
FYNLOGUCRBHVEG-UHFFFAOYSA-N
Canonic Smiles
CC(CCc1ccc(cc1)Cl)N
Isomeric Smiles
c1(Cl)ccc(CCC(N)C)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.1723925
LogD (pH = 7.4)
0.20872158
Log P
2.8528638
Molar Refractivity
53.111
Polarizability
21.005955
Polar Surface Area
26.02
Rotatable Bonds
3
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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