Molecule

ID:32206

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO
Molecular Mass
179.25878
Exact Mass
179.13101417
Charge
0
InChI
InChI=1S/C11H17NO/c1-9(12-2)8-10-4-6-11(13-3)7-5-10/h4-7,9,12H,8H2,1-3H3
InChIKey
UGFMBZYKVQSQFX-UHFFFAOYSA-N
Canonic Smiles
CNC(Cc1ccc(cc1)OC)C
Isomeric Smiles
c1(CC(NC)C)ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1479639
LogD (pH = 7.4)
-0.5867756
Log P
2.0791595
Molar Refractivity
54.943
Polarizability
21.68154
Polar Surface Area
21.26
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
References
Bioactivity
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