Chemical ID: 4895913

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)[N+](=O)[O-])Cc5ccco5
Chemical ID:
4895913
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)[N+](=O)[O-])Cc5ccco5
InChi [?]:
InChI=1/C23H16N2O6/c1-13-4-9-18-17(11-13)21(26)19-20(14-5-7-15(8-6-14)25(28)29)24(23(27)22(19)31-18)12-16-3-2-10-30-16/h2-11,20H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,29,28,3,18,22,19,21,4,30,7,26,2,17,20,27,6,5,10,16,8,11,13,15,23,9,14,24,25,31,12/E:(5,6)(7,8)(28,29)/CRV:25.5/rA:31cCCCCCCCCOCCOCONCCCCCCCN+OO-CCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;s15;s26;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H16N2O6
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:4.99189
Area:616.28
Solvation:-10.4151
Coulombic:-52.565
Bond Count [?]
All:35
Single:23
Double:12
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:416.383
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.03
LogP (Chemaxon):3.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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