Chemical ID: 6709897

c1ccc2c(c1)c3ccccc3c(=O)n(c2=O)c4ccc(cc4)C(=O)[O-]
Chemical ID:
6709897
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)/p-1
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:C21H12NO4-
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-32.6588
Area:510.801
Solvation:-45.4289
Coulombic:-28.4597
Bond Count [?]
All:29
Single:17
Double:12
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:342.324
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.77
LogP (Chemaxon):3.21

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Descriptor Annotations

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