Molecule

ID:105263

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₀N₂O
Molecular Mass
302.4543
Exact Mass
302.23581359
Charge
0
InChI
InChI=1S/C19H30N2O/c1-2-3-4-5-6-7-8-9-11-20-17-13-16(15-22)18-10-12-21-19(18)14-17/h10,12-14,20-22H,2-9,11,15H2,1H3
InChIKey
CHLOVPDKABYEDC-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCNc1cc(CO)c2c(c1)[nH]cc2
Isomeric Smiles
CCCCCCCCCCNc1cc(CO)c2cc[nH]c2c1
Calculated Properties
JChem
Acid pKa
15.117403
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
4.754907
LogD (pH = 7.4)
4.76857
Log P
4.7687473
Molar Refractivity
95.6338
Polarizability
37.60827
Polar Surface Area
48.05
Rotatable Bonds
11
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation