Molecule

ID:86709

General Information
Structure
Molecular Formula
C₉H₁₀ClNO
Molecular Mass
183.6348
Exact Mass
183.04509163
Charge
0
InChI
InChI=1S/C9H10ClNO/c1-2-11(7-12)9-5-3-8(10)4-6-9/h3-7H,2H2,1H3
InChIKey
AJNZQFLAIQZRTJ-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1)Cl)C=O
Isomeric Smiles
N(c1ccc(cc1)Cl)(C=O)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9871762
LogD (pH = 7.4)
1.9871762
Log P
1.9871762
Molar Refractivity
49.0998
Polarizability
18.915958
Polar Surface Area
20.31
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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