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Chemical ID: 4776294
Chemical ID:
4776294
Name [?]:
1-(3-fluorophenyl)pyrrole-2,5-dione
SMILES [?]:
c1cc(cc(c1)F)N2C(=O)C=CC2=O
InChi [?]:
InChI=1/C10H6FNO2/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(12)14/h1-6H
InChi Info:
AuxInfo=1/0/N:1,6,2,11,12,4,5,3,9,13,7,8,10,14/E:(4,5)(9,10)(13,14)/rA:14nCCCCCCFNCOCCCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;d11;s8s12;d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H6FNO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.30452 |
Area: | 331.214 |
Solvation: | -2.97582 |
Coulombic: | -28.8552 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 191.159 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.19 |
LogP (Chemaxon): | 1.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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