Molecule

ID:20103

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO
Molecular Mass
191.26948
Exact Mass
191.13101417
Charge
0
InChI
InChI=1S/C12H17NO/c13-11-5-7-12(8-6-11)14-9-10-3-1-2-4-10/h5-8,10H,1-4,9,13H2
InChIKey
RJENVPMMMRQGSV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)OCC1CCCC1
Isomeric Smiles
O(c1ccc(N)cc1)CC1CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4985836
LogD (pH = 7.4)
2.6539688
Log P
2.6563632
Molar Refractivity
58.3656
Polarizability
22.47337
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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