Molecule

ID:69285

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClNO₂
Molecular Mass
185.60762
Exact Mass
185.02435618
Charge
0
InChI
InChI=1S/C8H8ClNO2/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4H,10H2,1H3
InChIKey
DSHBGNPOIBSIOQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1Cl)N
Isomeric Smiles
C(=O)(c1c(cc(cc1)N)Cl)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7516847
LogD (pH = 7.4)
1.7518395
Log P
1.7518415
Molar Refractivity
47.5885
Polarizability
17.82344
Polar Surface Area
52.32
Rotatable Bonds
2
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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