Chemical ID: 5788345

c1ccc2c(c1)c(cc(n2)c3cc(c4ccccc4n3)C(=O)O[K])C(=O)O[K]
Chemical ID:
5788345
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(cc(n2)c3cc(c4ccccc4n3)C(=O)O[K])C(=O)O[K]
InChi [?]:
InChI=1/C20H12N2O4.2K/c23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18;;/h1-10H,(H,23,24)(H,25,26);;/q;2*+1/p-2
InChi Info:
AuxInfo=1/1/N:1,16,2,17,6,15,3,18,8,12,5,14,7,13,4,19,9,11,25,21,10,20,26,27,22,23;24;28/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24,25,26);;/gE:(1,2);;/rA:28nCCCCCCCCCNCCCCCCCCCNCOOKCOOK/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;s13;d21;s21;s23;s7;d25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H10K2N2O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:0.0
Area:0.0
Solvation:0.0
Coulombic:0.0
Bond Count [?]
All:31
Single:19
Double:12
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:420.501
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.28
LogP (Chemaxon):3.96

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Experimental Annotations

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Descriptor Annotations

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