Molecule

ID:30200

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO
Molecular Mass
179.25878
Exact Mass
179.13101417
Charge
0
InChI
InChI=1S/C11H17NO/c1-8(2)13-11-6-4-10(5-7-11)9(3)12/h4-9H,12H2,1-3H3
InChIKey
QDLPHPPYMUBDRB-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)C(N)C)C
Isomeric Smiles
c1(ccc(OC(C)C)cc1)C(N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.87461734
LogD (pH = 7.4)
-0.11579272
Log P
2.131301
Molar Refractivity
54.5808
Polarizability
21.758385
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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