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Chemical ID: 4899605

Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)Cc4ccco4)c5cccc(c5)[N+](=O)[O-]

Chemical ID:

4899605

Name [?]:

None

SMILES [?]:

Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)Cc4ccco4)c5cccc(c5)[N+](=O)[O-]

InChi [?]:

InChI=1/C24H18N2O6/c1-13-9-18-19(10-14(13)2)32-23-20(22(18)27)21(15-5-3-6-16(11-15)26(29)30)25(24(23)28)12-17-7-4-8-31-17/h3-11,21H,12H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,8,26,21,25,27,20,22,3,6,29,18,2,7,24,28,19,4,5,11,14,12,10,16,15,30,13,17,31,32,23,9/E:(29,30)/CRV:26.5/rA:32cCCCCCCCCOCCCOCNCOCCCCCOCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;s18;d19;s20;d21;s19s22;s14;s24;d25;s26;d27;d24s28;s28;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₈N₂O₆
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	5.86305
Area:	601.085
Solvation:	-9.16409
Coulombic:	-53.3608

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	430.41
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.47
LogP (Chemaxon):	4.27

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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