Molecule

ID:27225

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅N₃O
Molecular Mass
277.3205
Exact Mass
277.12151212
Charge
0
InChI
InChI=1S/C17H15N3O/c1-11-5-4-6-12(9-11)16-10-14(17(21)20-18)13-7-2-3-8-15(13)19-16/h2-10H,18H2,1H3,(H,20,21)
InChIKey
ISRQFDBCLWAFKT-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc(nc2c1cccc2)c1cccc(c1)C
Isomeric Smiles
c1(cc(nc2c1cccc2)c1cc(ccc1)C)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.735593
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.2306423
LogD (pH = 7.4)
3.2315505
Log P
3.2315621
Molar Refractivity
83.3472
Polarizability
34.02844
Polar Surface Area
68.01
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation