Molecule

ID:79146

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄ClN₃O₂
Molecular Mass
315.75426
Exact Mass
315.07745438
Charge
0
InChI
InChI=1S/C16H14ClN3O2/c1-11-10-14(20(19-11)12-6-3-2-4-7-12)22-16(21)13-8-5-9-18-15(13)17/h2-11,19H,1H3
InChIKey
UMVLRAYTBTZXLN-UHFFFAOYSA-N
Canonic Smiles
CC1NN(C(=C1)OC(=O)c1cccnc1Cl)c1ccccc1
Isomeric Smiles
N1(c2ccccc2)C(=CC(N1)C)OC(=O)c1cccnc1Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.5789673
LogD (pH = 7.4)
4.0208964
Log P
4.0308027
Molar Refractivity
116.0051
Polarizability
32.519
Polar Surface Area
54.46
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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