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Chemical ID: 4796941

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)[N+](=O)[O-])Cc5ccccc5

Chemical ID:

4796941

Name [?]:

None

SMILES [?]:

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)[N+](=O)[O-])Cc5ccccc5

InChi [?]:

InChI=1/C25H18N2O5/c1-15-10-11-20-19(12-15)23(28)21-22(17-8-5-9-18(13-17)27(30)31)26(25(29)24(21)32-20)14-16-6-3-2-4-7-16/h2-13,22H,14H2,1H3

InChi Info:

AuxInfo=1/0/N:1,30,29,31,19,28,32,18,20,3,4,7,22,26,2,27,17,21,6,5,10,16,8,11,13,15,23,9,14,24,25,12/E:(3,4)(6,7)(30,31)/CRV:27.5/rA:32cCCCCCCCCOCCOCONCCCCCCCN+OO-CCCCCCC/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;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₁₈N₂O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	6.93378
Area:	632.146
Solvation:	-8.86988
Coulombic:	-48.3534

Bond Count [?]

All:	36
Single:	23
Double:	13
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	426.421
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	4.34
LogP (Chemaxon):	4.85

Name Annotations

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

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