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Chemical ID: 5164507
Chemical ID:
5164507
Name [?]:
4-(3,4-dimethoxybenzoyl)-5-(2-fluorophenyl)-3-hydroxy-1,5-dihydropyrrol-2-one
SMILES [?]:
COc1ccc(cc1OC)C(=O)C2=C(C(=O)NC2c3ccccc3F)O
InChi [?]:
InChI=1/C19H16FNO5/c1-25-13-8-7-10(9-14(13)26-2)17(22)15-16(21-19(24)18(15)23)11-5-3-4-6-12(11)20/h3-9,16,23H,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,10,21,22,20,23,5,4,7,6,19,24,3,8,13,18,11,14,15,25,17,12,26,16,2,9/rA:26cCOCCCCCCOCCOCCCONCCCCCCCFO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s24;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16FNO5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.93389 |
Area: | 531.85 |
Solvation: | -7.36237 |
Coulombic: | -64.5854 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 357.332 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.78 |
LogP (Chemaxon): | 1.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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