Molecule

ID:118451

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₂
Molecular Mass
205.253
Exact Mass
205.11027873
Charge
0
InChI
InChI=1S/C12H15NO2/c14-12(15)11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2,(H,14,15)
InChIKey
XDCLOVOOEKUJBK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)C1CCNCC1
Isomeric Smiles
C(=O)(c1ccc(cc1)C1CCNCC1)O
Calculated Properties
JChem
Acid pKa
4.169434
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.7518292
LogD (pH = 7.4)
-0.73646206
Log P
-0.73628134
Molar Refractivity
58.7352
Polarizability
22.575958
Polar Surface Area
49.33
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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