Chemical ID: 4776294

c1cc(cc(c1)F)N2C(=O)C=CC2=O
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

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