Chemical ID: 5769192

c1ccc2c(c1)c3ccccc3c(=O)n(c2=O)c4ccc(cc4)C(=O)O
Chemical ID:
5769192
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3ccccc3c(=O)n(c2=O)c4ccc(cc4)C(=O)O
InChi [?]:
InChI=1/C21H13NO4/c23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20(24)22(19)14-11-9-13(10-12-14)21(25)26/h1-12H,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,9,2,10,6,8,3,11,20,22,19,23,21,18,5,7,4,12,16,13,24,15,17,14,25,26/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)(17,18)(19,20)(23,24)(25,26)/rA:26nCCCCCCCCCCCCCONCOCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s12;d13;s13;s4s15;d16;s15;s18;d19;s20;d21;d18s22;s21;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H13NO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.86989
Area:512.805
Solvation:-2.95023
Coulombic:-56.9301
Bond Count [?]
All:29
Single:17
Double:12
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:343.332
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.25
LogP (Chemaxon):3.21

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Descriptor Annotations

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