Molecule

ID:87326

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO
Molecular Mass
215.29088
Exact Mass
215.13101417
Charge
0
InChI
InChI=1S/C14H17NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKey
RSUHKGOVXMXCND-UHFFFAOYSA-N
Canonic Smiles
O=C1CC2CCC(C1)N2Cc1ccccc1
Isomeric Smiles
N1(C2CC(=O)CC1CC2)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
18.179075
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.61108047
LogD (pH = 7.4)
1.0905402
Log P
2.4229376
Molar Refractivity
63.9575
Polarizability
25.213005
Polar Surface Area
20.31
Rotatable Bonds
2
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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