Molecule

ID:16075

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉NO
Molecular Mass
265.34956
Exact Mass
265.14666423
Charge
0
InChI
InChI=1S/C18H19NO/c1-2-7-13(8-3-1)17-15-10-6-12-20-18(15)14-9-4-5-11-16(14)19-17/h1-5,7-9,11,15,17-19H,6,10,12H2
InChIKey
NNBCJSIAXXSBNX-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)C1Nc2ccccc2C2C1CCCO2
Isomeric Smiles
N1C(C2C(c3c1cccc3)OCCC2)c1ccccc1
Calculated Properties
JChem
Acid pKa
18.059721
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5039005
LogD (pH = 7.4)
3.5045931
Log P
3.504602
Molar Refractivity
81.9541
Polarizability
31.369598
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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