Molecule

ID:68000

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14,16H,15H2/t13-,14+/m1/s1
InChIKey
GEJJWYZZKKKSEV-KGLIPLIRSA-N
Canonic Smiles
N[C@@H]([C@H](c1ccccc1)O)c1ccccc1
Isomeric Smiles
[C@@H]([C@@H](c1ccccc1)N)(c1ccccc1)O
Calculated Properties
JChem
Acid pKa
13.783489
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.67245746
LogD (pH = 7.4)
0.57994777
Log P
2.2529194
Molar Refractivity
64.7767
Polarizability
25.791145
Polar Surface Area
46.25
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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