Molecule

ID:40401

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀ClNO₅
Molecular Mass
307.6859
Exact Mass
307.02475011
Charge
0
InChI
InChI=1S/C14H10ClNO5/c1-20-14(17)9-2-7-13(12(8-9)16(18)19)21-11-5-3-10(15)4-6-11/h2-8H,1H3
InChIKey
DHRPZVIKUJORGC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)[N+](=O)[O-])Oc1ccc(cc1)Cl
Isomeric Smiles
c1(cc(C(=O)OC)ccc1Oc1ccc(Cl)cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.021039
LogD (pH = 7.4)
4.021039
Log P
4.021039
Molar Refractivity
76.4536
Polarizability
28.9009
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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