Molecule

ID:11323

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₁N₃O
Molecular Mass
295.37884
Exact Mass
295.16846231
Charge
0
InChI
InChI=1S/C18H21N3O/c1-20(2)12-18(22)21-16-6-4-3-5-13(16)7-8-14-9-10-15(19)11-17(14)21/h3-6,9-11H,7-8,12,19H2,1-2H3
InChIKey
FSWSSSCWSMLDKV-UHFFFAOYSA-N
Canonic Smiles
CN(CC(=O)N1c2ccccc2CCc2c1cc(N)cc2)C
Isomeric Smiles
C1Cc2c(N(c3c1ccc(c3)N)C(=O)CN(C)C)cccc2
Calculated Properties
JChem
Acid pKa
16.242458
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.69836223
LogD (pH = 7.4)
2.1686807
Log P
2.35867
Molar Refractivity
90.2241
Polarizability
33.94377
Polar Surface Area
49.57
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
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Molecule Details
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References
Bioactivity
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