Molecule

ID:40609

General Information
Structure
Molecular Formula
C₁₅H₁₈N₂O
Molecular Mass
242.31622
Exact Mass
242.14191321
Charge
0
InChI
InChI=1S/C15H18N2O/c1-17-7-5-11(6-8-17)14-10-16-15-4-3-12(18-2)9-13(14)15/h3-5,9-10,16H,6-8H2,1-2H3
InChIKey
TTZUYLGBEOWNTP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(c[nH]2)C1=CCN(CC1)C
Isomeric Smiles
c1(c2c([nH]c1)ccc(c2)OC)C1=CCN(CC1)C
Calculated Properties
JChem
Acid pKa
16.48468
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6346471
LogD (pH = 7.4)
1.1045221
Log P
2.2915108
Molar Refractivity
75.0194
Polarizability
29.797447
Polar Surface Area
28.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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