Chemical ID: 4810844

Cc1cc(no1)N2C(C(=C(C2=O)O)C(=O)c3ccco3)c4cccnc4
Chemical ID:
4810844
Name [?]:
4-(2-furylcarbonyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-5-(3-pyridyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1cc(no1)N2C(C(=C(C2=O)O)C(=O)c3ccco3)c4cccnc4
InChi [?]:
InChI=1/C18H13N3O5/c1-10-8-13(20-26-10)21-15(11-4-2-6-19-9-11)14(17(23)18(21)24)16(22)12-5-3-7-25-12/h2-9,15,23H,1H3
InChi Info:
AuxInfo=1/0/N:1,23,18,22,17,24,19,3,26,2,21,16,4,9,8,14,10,11,25,5,7,15,13,12,20,6/rA:26cCCCCNONCCCCOOCOCCCCOCCCCNC/rB:s1;d2;s3;d4;s2s5;s4;s7;s8;d9;s7s10;d11;s10;s9;d14;s14;d16;s17;d18;s16s19;s8;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13N3O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:8.27447
Area:537.201
Solvation:-5.15555
Coulombic:-57.1704
Bond Count [?]
All:29
Single:19
Double:10
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:351.313
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.5
LogP (Chemaxon):-0.5

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Descriptor Annotations

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