Molecule

ID:18402

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClNO
Molecular Mass
183.6348
Exact Mass
183.04509163
Charge
0
InChI
InChI=1S/C9H10ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h3-4,11-12H,1-2,5H2
InChIKey
IQXODTOLPHMAJF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c2c1CCCN2)O
Isomeric Smiles
c12c(NCCC2)c(ccc1Cl)O
Calculated Properties
JChem
Acid pKa
10.06033
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.9900297
LogD (pH = 7.4)
2.0535724
Log P
2.2309604
Molar Refractivity
50.9481
Polarizability
18.663712
Polar Surface Area
32.26
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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