Molecule

ID:40138

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉NO
Molecular Mass
265.34956
Exact Mass
265.14666423
Charge
0
InChI
InChI=1S/C18H19NO/c1-19(2)14-13-17(20)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,18H,1-2H3/b14-13+
InChIKey
JKRJXPWLKZXGLL-BUHFOSPRSA-N
Canonic Smiles
CN(/C=C/C(=O)C(c1ccccc1)c1ccccc1)C
Isomeric Smiles
C(=C\N(C)C)/C(=O)C(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
17.212265
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9703512
LogD (pH = 7.4)
3.9159708
Log P
3.9617379
Molar Refractivity
83.9384
Polarizability
31.988382
Polar Surface Area
20.31
Rotatable Bonds
5
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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