Molecule

ID:12832

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇NO₂
Molecular Mass
255.31168
Exact Mass
255.12592879
Charge
0
InChI
InChI=1S/C16H17NO2/c17-9-8-14(12-4-2-1-3-5-12)13-6-7-15-16(10-13)19-11-18-15/h1-7,10,14H,8-9,11,17H2
InChIKey
YAENRSAIJLBRNF-UHFFFAOYSA-N
Canonic Smiles
NCCC(c1ccc2c(c1)OCO2)c1ccccc1
Isomeric Smiles
c1(cc2c(cc1)OCO2)C(c1ccccc1)CCN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.14313667
LogD (pH = 7.4)
0.391693
Log P
2.8763006
Molar Refractivity
74.2979
Polarizability
29.36845
Polar Surface Area
44.48
Rotatable Bonds
4
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
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References
Bioactivity
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