Chemical ID: 4825080

c1ccc(c(c1)C2C(=C(C(=O)N2CCC(=O)O)O)C(=O)c3ccc(cc3)Cl)F
Chemical ID:
4825080
Name [?]:
3-[3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoic acid
SMILES [?]:
c1ccc(c(c1)C2C(=C(C(=O)N2CCC(=O)O)O)C(=O)c3ccc(cc3)Cl)F
InChi [?]:
InChI=1/C20H15ClFNO5/c21-12-7-5-11(6-8-12)18(26)16-17(13-3-1-2-4-14(13)22)23(10-9-15(24)25)20(28)19(16)27/h1-8,17,27H,9-10H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,22,26,23,25,14,13,21,24,5,4,15,8,7,19,9,10,27,28,12,16,17,20,18,11/E:(5,6)(7,8)(24,25)/rA:28cCCCCCCCCCCONCCCOOOCOCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s7s10;s12;s13;s14;d15;s15;s9;s8;d19;s19;s21;d22;s23;d24;d21s25;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15ClFNO5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.63824
Area:595.967
Solvation:-5.26094
Coulombic:-73.3187
Bond Count [?]
All:30
Single:20
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:403.788
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.52
LogP (Chemaxon):2.61

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Descriptor Annotations

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