Molecule

ID:19364

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO
Molecular Mass
179.25878
Exact Mass
179.13101417
Charge
0
InChI
InChI=1S/C11H17NO/c1-8-4-9(2)6-11(5-8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3
InChIKey
DPLCQNGJZJXXPM-UHFFFAOYSA-N
Canonic Smiles
CC(COc1cc(C)cc(c1)C)N
Isomeric Smiles
c1(OCC(N)C)cc(cc(c1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.52837676
LogD (pH = 7.4)
0.39039904
Log P
2.4620085
Molar Refractivity
54.9722
Polarizability
21.604212
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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