Chemical ID: 6800605

c1ccc2c(c1)C(=O)C(=O)N2CC(=O)c3ccc(cc3)F
Chemical ID:
6800605
Name [?]:
1-[2-(4-fluorophenyl)-2-oxo-ethyl]indoline-2,3-dione
SMILES [?]:
c1ccc2c(c1)C(=O)C(=O)N2CC(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C16H10FNO3/c17-11-7-5-10(6-8-11)14(19)9-18-13-4-2-1-3-12(13)15(20)16(18)21/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,16,20,17,19,12,15,18,5,4,13,7,9,21,11,14,8,10/E:(5,6)(7,8)/rA:21nCCCCCCCOCONCCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10FNO3
All Atoms:31
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.72121
Area:458.169
Solvation:-4.73301
Coulombic:-39.0196
Bond Count [?]
All:23
Single:14
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:283.254
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.21
LogP (Chemaxon):2.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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