Chemical ID: 4565120

CN1C(C(=C(C1=O)O)C(=O)c2ccccc2)c3ccc(c(c3)OC)O
Chemical ID:
4565120
Name [?]:
4-benzoyl-3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-1-methyl-5H-pyrrol-2-one
SMILES [?]:
CN1C(C(=C(C1=O)O)C(=O)c2ccccc2)c3ccc(c(c3)OC)O
InChi [?]:
InChI=1/C19H17NO5/c1-20-16(12-8-9-13(21)14(10-12)25-2)15(18(23)19(20)24)17(22)11-6-4-3-5-7-11/h3-10,16,21,23H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,14,13,15,12,16,18,19,22,11,17,20,21,4,3,9,5,6,2,25,10,8,7,23/E:(4,5)(6,7)/rA:25cCNCCCCOOCOCCCCCCCCCCCCOCO/rB:s1;s2;s3;d4;s2s5;d6;s5;s4;d9;s9;s11;d12;s13;d14;d11s15;s3;s17;d18;s19;d20;d17s21;s21;s23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17NO5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:6.91061
Area:527.254
Solvation:-6.27074
Coulombic:-66.2856
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:339.342
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.71
LogP (Chemaxon):1.69

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Descriptor Annotations

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