Molecule

ID:35749

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClNO
Molecular Mass
183.6348
Exact Mass
183.04509163
Charge
0
InChI
InChI=1S/C9H10ClNO/c1-6-5-11-8-4-7(10)2-3-9(8)12-6/h2-4,6,11H,5H2,1H3
InChIKey
CEDHFNZEZCCEMX-UHFFFAOYSA-N
Canonic Smiles
CC1CNc2c(O1)ccc(c2)Cl
Isomeric Smiles
N1c2c(OC(C1)C)ccc(c2)Cl
Calculated Properties
JChem
Acid pKa
18.034706
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1259956
LogD (pH = 7.4)
2.1373014
Log P
2.1374474
Molar Refractivity
49.9696
Polarizability
18.809076
Polar Surface Area
21.26
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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