Molecule

ID:12930

General Information
Structure
Molecular Formula
C₁₈H₁₉N₃O
Molecular Mass
293.36296
Exact Mass
293.15281224
Charge
0
InChI
InChI=1S/C18H19N3O/c1-12-6-13(2)17-15(7-12)8-16(18(22)21-17)11-20-10-14-4-3-5-19-9-14/h3-9,20H,10-11H2,1-2H3,(H,21,22)
InChIKey
IPDKXQAMMQOZEC-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)cc(c(=O)[nH]2)CNCc1cccnc1
Isomeric Smiles
c1c(c2c(cc1C)cc(c(=O)[nH]2)CNCc1cnccc1)C
Calculated Properties
JChem
Acid pKa
14.02784
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.1545883
LogD (pH = 7.4)
1.8878537
Log P
2.5712638
Molar Refractivity
90.3812
Polarizability
33.5937
Polar Surface Area
54.02
Rotatable Bonds
4
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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