Molecule

ID:69482

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO₂
Molecular Mass
215.67666
Exact Mass
215.07130637
Charge
0
InChI
InChI=1S/C10H13NO2.ClH/c11-9(7-10(12)13)6-8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H,12,13);1H/t9-;/m0./s1
InChIKey
MQTMGKGSJOPWJW-FVGYRXGTSA-N
Canonic Smiles
N[C@@H](Cc1ccccc1)CC(=O)O.Cl
Isomeric Smiles
C(=O)(C[C@H](Cc1ccccc1)N)O.Cl
Calculated Properties
JChem
Acid pKa
4.1492352
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.1156572
LogD (pH = 7.4)
-1.1009502
Log P
-1.1007895
Molar Refractivity
49.7406
Polarizability
19.72792
Polar Surface Area
63.32
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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