Molecule

ID:35118

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃N₃O
Molecular Mass
309.40542
Exact Mass
309.18411237
Charge
0
InChI
InChI=1S/C19H23N3O/c20-18(23)19(21-17-9-5-2-6-10-17)11-13-22(14-12-19)15-16-7-3-1-4-8-16/h1-10,21H,11-15H2,(H2,20,23)
InChIKey
PUFOFCNHIWPPNN-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1(CCN(CC1)Cc1ccccc1)Nc1ccccc1
Isomeric Smiles
C1(C(=O)N)(Nc2ccccc2)CCN(CC1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
14.914643
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.9260344
LogD (pH = 7.4)
0.7805093
Log P
2.096491
Molar Refractivity
94.2621
Polarizability
35.976814
Polar Surface Area
58.36
Rotatable Bonds
5
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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