Molecule

ID:71348

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀ClN₃O₅
Molecular Mass
369.8001
Exact Mass
369.10914844
Charge
0
InChI
InChI=1S/C16H20ClN3O5/c1-16(2,3)25-15(22)19-8-6-18(7-9-19)14(21)12-10-11(20(23)24)4-5-13(12)17/h4-5,10H,6-9H2,1-3H3
InChIKey
RASQJXBIQRHSRB-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(ccc1Cl)[N+](=O)[O-])N1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
c1(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc([N+](=O)[O-])ccc1Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.5625317
LogD (pH = 7.4)
2.5625317
Log P
2.5625317
Molar Refractivity
92.8098
Polarizability
34.831333
Polar Surface Area
95.67
Rotatable Bonds
4
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