Molecule

ID:20108

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₂
Molecular Mass
181.2316
Exact Mass
181.11027873
Charge
0
InChI
InChI=1S/C10H15NO2/c1-2-12-7-8-13-10-5-3-9(11)4-6-10/h3-6H,2,7-8,11H2,1H3
InChIKey
SCFTZBNMULUNNP-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1ccc(cc1)N
Isomeric Smiles
c1(N)ccc(cc1)OCCOCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1772527
LogD (pH = 7.4)
1.2947541
Log P
1.296481
Molar Refractivity
53.0137
Polarizability
20.200104
Polar Surface Area
44.48
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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