Molecule

ID:34881

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃N₃O₃
Molecular Mass
341.40422
Exact Mass
341.17394161
Charge
0
InChI
InChI=1S/C19H23N3O3/c1-13-11-17(22-9-3-2-4-10-22)21-16-6-5-14(12-15(13)16)20-18(23)7-8-19(24)25/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,23)(H,24,25)
InChIKey
NMVIGYPBNGYGGC-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc2c(c1)c(C)cc(n2)N1CCCCC1)CCC(=O)O
Isomeric Smiles
c1(nc2c(c(c1)C)cc(NC(=O)CCC(=O)O)cc2)N1CCCCC1
Calculated Properties
JChem
Acid pKa
4.0264864
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.2786862
LogD (pH = 7.4)
0.4972338
Log P
1.3088392
Molar Refractivity
97.6609
Polarizability
37.386124
Polar Surface Area
82.53
Rotatable Bonds
5
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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