Molecule

ID:81783

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇ClN₄O
Molecular Mass
316.78538
Exact Mass
316.10908886
Charge
0
InChI
InChI=1S/C16H17ClN4O/c1-16(2,3)11-7-5-10(6-8-11)14-19-15(22-20-14)12-9-18-21(4)13(12)17/h5-9H,1-4H3
InChIKey
LZDIOCALCNGMMR-UHFFFAOYSA-N
Canonic Smiles
Cn1ncc(c1Cl)c1onc(n1)c1ccc(cc1)C(C)(C)C
Isomeric Smiles
n1c(c2c(n(C)nc2)Cl)onc1c1ccc(cc1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.3383884
LogD (pH = 7.4)
4.338395
Log P
4.338395
Molar Refractivity
119.562
Polarizability
33.78517
Polar Surface Area
56.74
Rotatable Bonds
3
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