Molecule

ID:110703

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClNO
Molecular Mass
201.69314
Exact Mass
201.09204182
Charge
0
InChI
InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10+;/m0./s1
InChIKey
BALXUFOVQVENIU-KXNXZCPBSA-N
Canonic Smiles
CN[C@H]([C@H](c1ccccc1)O)C.Cl
Isomeric Smiles
Cl.CN[C@@H](C)[C@@H](O)c1ccccc1
Calculated Properties
JChem
Acid pKa
13.889531
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.8580045
LogD (pH = 7.4)
-0.7786886
Log P
1.3178347
Molar Refractivity
49.6873
Polarizability
19.85273
Polar Surface Area
32.26
Rotatable Bonds
3
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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