Molecule

ID:131964

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO₂
Molecular Mass
215.67666
Exact Mass
215.07130637
Charge
0
InChI
InChI=1S/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H
InChIKey
SWVMLNPDTIFDDY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(Cc1ccccc1)N.Cl
Isomeric Smiles
COC(=O)C(Cc1ccccc1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.24576107
LogD (pH = 7.4)
1.087451
Log P
1.2235091
Molar Refractivity
49.8854
Polarizability
19.982523
Polar Surface Area
52.32
Rotatable Bonds
4
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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