Molecule

ID:8415

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₂
Molecular Mass
181.2316
Exact Mass
181.11027873
Charge
0
InChI
InChI=1S/C10H15NO2/c1-12-9-5-8(3-4-11)6-10(7-9)13-2/h5-7H,3-4,11H2,1-2H3
InChIKey
ZHSFEDDRTVLPHH-UHFFFAOYSA-N
Canonic Smiles
NCCc1cc(OC)cc(c1)OC
Isomeric Smiles
c1(cc(cc(c1)OC)CCN)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9347882
LogD (pH = 7.4)
-1.1915544
Log P
1.072333
Molar Refractivity
52.2128
Polarizability
20.493118
Polar Surface Area
44.48
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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