Molecule

ID:51161

General Information
Structure
Molecular Formula
C₁₄H₁₀ClNO₅
Molecular Mass
307.6859
Exact Mass
307.02475011
Charge
0
InChI
InChI=1S/C14H10ClNO5/c1-20-13-11(16(18)19)7-10(15)8-12(13)21-14(17)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey
REDHGOXQUJIHKU-UHFFFAOYSA-N
Canonic Smiles
COc1c(cc(cc1[N+](=O)[O-])Cl)OC(=O)c1ccccc1
Isomeric Smiles
c1([N+](=O)[O-])c(c(OC(=O)c2ccccc2)cc(c1)Cl)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.021039
LogD (pH = 7.4)
4.021039
Log P
4.021039
Molar Refractivity
76.4536
Polarizability
28.838343
Polar Surface Area
81.35
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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