Molecule

ID:57441

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇N₃
Molecular Mass
251.32628
Exact Mass
251.14224756
Charge
0
InChI
InChI=1S/C16H17N3/c1-8-5-10(3)15-12(6-8)14(17)13-9(2)7-11(4)18-16(13)19-15/h5-7H,1-4H3,(H2,17,18,19)
InChIKey
ZNPSDSMZKLWRLO-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(n1)nc1c(c2N)cc(cc1C)C
Isomeric Smiles
c1c(nc2c(c1C)c(c1c(n2)c(cc(c1)C)C)N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.375479
LogD (pH = 7.4)
3.4551466
Log P
3.456268
Molar Refractivity
79.8889
Polarizability
31.168055
Polar Surface Area
51.8
Rotatable Bonds
0
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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