Molecule

ID:76299

General Information
Structure
Molecular Formula
C₁₁H₁₆ClNO
Molecular Mass
213.70384
Exact Mass
213.09204182
Charge
0
InChI
InChI=1S/C11H15NO.ClH/c1-9-2-4-10(5-3-9)11-8-13-7-6-12-11;/h2-5,11-12H,6-8H2,1H3;1H
InChIKey
GBEZZTSPCWVJES-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C1NCCOC1.Cl
Isomeric Smiles
N1C(c2ccc(cc2)C)COCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.47540802
LogD (pH = 7.4)
1.2516217
Log P
1.8862827
Molar Refractivity
53.0919
Polarizability
20.957623
Polar Surface Area
21.26
Rotatable Bonds
1
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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