Molecule

ID:30249

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClN
Molecular Mass
183.67786
Exact Mass
183.08147713
Charge
0
InChI
InChI=1S/C10H14ClN/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-5,8H,6-7,12H2,1H3
InChIKey
JPYONMJJWKTSBP-UHFFFAOYSA-N
Canonic Smiles
CC(CCc1ccccc1Cl)N
Isomeric Smiles
c1(c(Cl)cccc1)CCC(N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.17239204
LogD (pH = 7.4)
0.20873678
Log P
2.8528638
Molar Refractivity
53.111
Polarizability
21.009205
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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