Molecule

ID:74091

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO₂
Molecular Mass
215.67666
Exact Mass
215.07130637
Charge
0
InChI
InChI=1S/C10H13NO2.ClH/c1-10(2,11-13)9(12)8-6-4-3-5-7-8;/h3-7,11,13H,1-2H3;1H
InChIKey
IQXRMRJHVWFIHX-UHFFFAOYSA-N
Canonic Smiles
ONC(C(=O)c1ccccc1)(C)C.Cl
Isomeric Smiles
O=C(c1ccccc1)C(NO)(C)C.Cl
Calculated Properties
JChem
Acid pKa
15.320537
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.7159845
LogD (pH = 7.4)
1.7169203
Log P
1.7169322
Molar Refractivity
61.2851
Polarizability
19.888468
Polar Surface Area
49.33
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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