Molecule

ID:15304

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO
Molecular Mass
191.26948
Exact Mass
191.13101417
Charge
0
InChI
InChI=1S/C12H17NO/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7H,1-2,4,6,8-9,13H2
InChIKey
RAKKZEOBJCOVLV-UHFFFAOYSA-N
Canonic Smiles
NCCOc1cccc2c1CCCC2
Isomeric Smiles
c12c(OCCN)cccc1CCCC2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.49075186
LogD (pH = 7.4)
0.61489177
Log P
2.470845
Molar Refractivity
57.9532
Polarizability
22.711018
Polar Surface Area
35.25
Rotatable Bonds
3
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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