Molecule

ID:20874

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO
Molecular Mass
191.26948
Exact Mass
191.13101417
Charge
0
InChI
InChI=1S/C12H17NO/c1-10-4-2-5-11(8-10)14-12-6-3-7-13-9-12/h2,4-5,8,12-13H,3,6-7,9H2,1H3
InChIKey
BTLCVZXSRONKNN-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)OC1CCCNC1
Isomeric Smiles
N1CC(Oc2cc(ccc2)C)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7385461
LogD (pH = 7.4)
0.37814912
Log P
2.430157
Molar Refractivity
57.498
Polarizability
22.791515
Polar Surface Area
21.26
Rotatable Bonds
2
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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