Molecule

ID:33308

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇N₃O
Molecular Mass
255.31498
Exact Mass
255.13716218
Charge
0
InChI
InChI=1S/C15H17N3O/c1-11-2-8-14(9-3-11)17-10-12-4-6-13(7-5-12)15(19)18-16/h2-9,17H,10,16H2,1H3,(H,18,19)
InChIKey
ZUEBGAIIRRUOAP-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(cc1)CNc1ccc(cc1)C
Isomeric Smiles
C(=O)(c1ccc(CNc2ccc(cc2)C)cc1)NN
Calculated Properties
JChem
Acid pKa
14.373397
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
2.207408
LogD (pH = 7.4)
2.2376838
Log P
2.2380831
Molar Refractivity
79.4681
Polarizability
28.925318
Polar Surface Area
67.15
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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