Molecule

ID:95419

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄FNO₇
Molecular Mass
375.3046632
Exact Mass
375.07543001
Charge
0
InChI
InChI=1S/C18H14FNO7/c1-25-14-5-3-2-4-11(14)17-12(9-16(21)27-17)18(22)26-15-8-10(19)6-7-13(15)20(23)24/h2-8,12,17H,9H2,1H3/t12-,17?/m0/s1
InChIKey
KZCCZGYXUKCONJ-WHUIICBVSA-N
Canonic Smiles
COc1ccccc1C1OC(=O)C[C@@H]1C(=O)Oc1cc(F)ccc1[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1c(cc(cc1)F)OC(=O)[C@@H]1C(c2ccccc2OC)OC(=O)C1)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.0413108
LogD (pH = 7.4)
3.0413108
Log P
3.0413108
Molar Refractivity
89.2278
Polarizability
34.16501
Polar Surface Area
107.65
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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