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Chemical ID: 5271045

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)[N+](=O)[O-])Cc5ccco5

Chemical ID:

5271045

Name [?]:

None

SMILES [?]:

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)[N+](=O)[O-])Cc5ccco5

InChi [?]:

InChI=1/C23H16N2O6/c1-13-7-8-18-17(10-13)21(26)19-20(14-4-2-5-15(11-14)25(28)29)24(23(27)22(19)31-18)12-16-6-3-9-30-16/h2-11,20H,12H2,1H3

InChi Info:

AuxInfo=1/0/N:1,19,29,18,20,28,3,4,30,7,22,26,2,17,21,27,6,5,10,16,8,11,13,15,23,9,14,24,25,31,12/E:(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;s21;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:	5.00682
Area:	614.997
Solvation:	-10.3681
Coulombic:	-52.4422

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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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value