Molecule

ID:29110

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO
Molecular Mass
179.25878
Exact Mass
179.13101417
Charge
0
InChI
InChI=1S/C11H17NO/c1-10(2)12-8-9-13-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKey
WVFGRNGNOVCUFS-UHFFFAOYSA-N
Canonic Smiles
CC(NCCOc1ccccc1)C
Isomeric Smiles
N(C(C)C)CCOc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.97049886
LogD (pH = 7.4)
-0.016340492
Log P
2.224554
Molar Refractivity
54.413
Polarizability
21.763979
Polar Surface Area
21.26
Rotatable Bonds
5
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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