Molecule

ID:127299

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₃
Molecular Mass
225.28416
Exact Mass
225.13649347
Charge
0
InChI
InChI=1S/C12H19NO3/c1-4-16-12-10(14-2)7-9(5-6-13)8-11(12)15-3/h7-8H,4-6,13H2,1-3H3
InChIKey
RHOGRSKNWDNCDN-UHFFFAOYSA-N
Canonic Smiles
NCCc1cc(OC)c(c(c1)OC)OCC
Isomeric Smiles
O(c1c(OC)cc(cc1OC)CCN)CC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.7373692
LogD (pH = 7.4)
-1.0175128
Log P
1.2714696
Molar Refractivity
63.4246
Polarizability
24.855724
Polar Surface Area
53.71
Rotatable Bonds
6
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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