Molecule

ID:61024

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉ClN₄O₄
Molecular Mass
366.79946
Exact Mass
366.10948279
Charge
0
InChI
InChI=1S/C16H19ClN4O4/c1-18-15(24)10-2-4-11(5-3-10)20-13(22)8-12-16(25)19-6-7-21(12)14(23)9-17/h2-5,12H,6-9H2,1H3,(H,18,24)(H,19,25)(H,20,22)
InChIKey
APJKDSVMEHZCMM-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CCNC(=O)C1CC(=O)Nc1ccc(cc1)C(=O)NC
Isomeric Smiles
N1(C(C(=O)NCC1)CC(=O)Nc1ccc(cc1)C(=O)NC)C(=O)CCl
Calculated Properties
JChem
Acid pKa
12.954249
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.88683015
LogD (pH = 7.4)
-0.8868311
Log P
-0.88683
Molar Refractivity
92.6287
Polarizability
34.6077
Polar Surface Area
107.61
Rotatable Bonds
5
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