Molecule

ID:36046

General Information
Structure
Molecular Formula
C₁₄H₂₀N₂O
Molecular Mass
232.3214
Exact Mass
232.15756327
Charge
0
InChI
InChI=1S/C14H20N2O/c1-10-13(9-15(2)3)12-8-11(17-5)6-7-14(12)16(10)4/h6-8H,9H2,1-5H3
InChIKey
NBIAXUGKHLQTLS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(CN(C)C)c(n2C)C
Isomeric Smiles
c1(ccc2n(c(c(c2c1)CN(C)C)C)C)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.0234095
LogD (pH = 7.4)
0.44521338
Log P
2.2789707
Molar Refractivity
72.1968
Polarizability
28.67721
Polar Surface Area
17.4
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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