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Chemical ID: 5730247
Chemical ID:
5730247
Name [?]:
4-[hydroxy-(5-methyl-2-furyl)-methylene]-1-(5-methylisoxazol-3-yl)-5-(3-pyridyl)pyrrolidine-2,3-dione
SMILES [?]:
Cc1ccc(o1)C(=C2C(N(C(=O)C2=O)c3cc(on3)C)c4cccnc4)O
InChi [?]:
InChI=1/C19H15N3O5/c1-10-5-6-13(26-10)17(23)15-16(12-4-3-7-20-9-12)22(19(25)18(15)24)14-8-11(2)27-21-14/h3-9,16,23H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,23,22,3,4,24,16,26,2,17,21,5,15,8,9,7,13,11,25,19,10,27,14,12,6,18/rA:27cCCCCCOCCCNCOCOCCCONCCCCCNCO/rB:s1;d2;s3;d4;s2s5;s5;w7;s8;s9;s10;d11;s8s11;d13;s10;s15;d16;s17;d15s18;s17;s9;s21;d22;s23;d24;d21s25;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15N3O5 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.64158 |
Area: | 533.12 |
Solvation: | -5.68641 |
Coulombic: | -56.4133 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 365.34 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.09 |
LogP (Chemaxon): | -0.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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