Molecule
ID:120796
General Information
Molecular Formula
C₁₅H₁₇N₃O
Molecular Mass
255.31498
Exact Mass
255.13716218
Charge
0
InChI
InChI=1S/C15H17N3O/c1-18(10-11-5-3-2-4-6-11)14-8-7-12(15(17)19)9-13(14)16/h2-9H,10,16H2,1H3,(H2,17,19)
InChIKey
DKYVCKMAKPFZOR-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1N)C(=O)N)Cc1ccccc1
Isomeric Smiles
c1(N(Cc2ccccc2)C)c(cc(C(=O)N)cc1)N
Calculated Properties
JChem
Acid pKa
15.388564
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.8261188
LogD (pH = 7.4)
1.82746
Log P
1.8274771
Molar Refractivity
78.878
Polarizability
28.71503
Polar Surface Area
72.35
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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