Molecule

ID:75563

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂ClNO
Molecular Mass
185.65068
Exact Mass
185.06074169
Charge
0
InChI
InChI=1S/C9H12ClNO/c1-11-9-4-3-8(10)5-7(9)6-12-2/h3-5,11H,6H2,1-2H3
InChIKey
OBIHRJJQQUFOLB-UHFFFAOYSA-N
Canonic Smiles
COCc1cc(Cl)ccc1NC
Isomeric Smiles
Clc1cc(c(cc1)NC)COC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9225535
LogD (pH = 7.4)
1.9258038
Log P
1.9258454
Molar Refractivity
52.6237
Polarizability
19.533747
Polar Surface Area
21.26
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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