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Chemical ID: 6800605
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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