Molecule

ID:115064

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄FN₅
Molecular Mass
271.2928632
Exact Mass
271.12332369
Charge
0
InChI
InChI=1S/C14H14FN5/c1-8-7-12(18-16)20-14(17-8)13(9(2)19-20)10-5-3-4-6-11(10)15/h3-7,18H,16H2,1-2H3
InChIKey
SRUDXLGYVRRQIN-UHFFFAOYSA-N
Canonic Smiles
NNc1cc(C)nc2n1nc(c2c1ccccc1F)C
Isomeric Smiles
n12c(c(c(n1)C)c1c(F)cccc1)nc(cc2NN)C
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.1078315
LogD (pH = 7.4)
2.1854885
Log P
2.186574
Molar Refractivity
87.2692
Polarizability
29.07773
Polar Surface Area
68.24
Rotatable Bonds
1
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