Molecule

ID:64595

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂ClNO
Molecular Mass
185.65068
Exact Mass
185.06074169
Charge
0
InChI
InChI=1S/C9H11NO.ClH/c10-9-6-11-5-7-3-1-2-4-8(7)9;/h1-4,9H,5-6,10H2;1H
InChIKey
RLECIOZWNPNKKL-UHFFFAOYSA-N
Canonic Smiles
NC1COCc2c1cccc2.Cl
Isomeric Smiles
c12c(COCC1N)cccc2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0272436
LogD (pH = 7.4)
-0.67757106
Log P
0.8630331
Molar Refractivity
43.7997
Polarizability
17.3393
Polar Surface Area
35.25
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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