Molecule

ID:58506

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10,16H,1-2,15H2
InChIKey
OQZQKSRWJGTVKG-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)CCc1ccc(cc1)O
Isomeric Smiles
c1c(ccc(c1)CCc1ccc(cc1)N)O
Calculated Properties
JChem
Acid pKa
10.289206
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.3132162
LogD (pH = 7.4)
3.3756945
Log P
3.3771172
Molar Refractivity
67.0775
Polarizability
25.220774
Polar Surface Area
46.25
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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