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Chemical ID: 4811706

c1ccc(cc1)CCN2C(c3c(=O)c4ccccc4oc3C2=O)c5cccc(c5)[N+](=O)[O-]

Chemical ID:

4811706

Name [?]:

None

SMILES [?]:

c1ccc(cc1)CCN2C(c3c(=O)c4ccccc4oc3C2=O)c5cccc(c5)[N+](=O)[O-]

InChi [?]:

InChI=1/C25H18N2O5/c28-23-19-11-4-5-12-20(19)32-24-21(23)22(17-9-6-10-18(15-17)27(30)31)26(25(24)29)14-13-16-7-2-1-3-8-16/h1-12,15,22H,13-14H2

InChi Info:

AuxInfo=1/0/N:1,2,6,16,17,26,3,5,25,27,15,18,7,8,29,4,24,28,14,19,11,10,12,21,22,9,30,13,23,31,32,20/E:(2,3)(7,8)(30,31)/CRV:27.5/rA:32cCCCCCCCCNCCCOCCCCCCOCCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s9s21;d22;s10;s24;d25;s26;d27;d24s28;s28;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	6.82793
Area:	630.344
Solvation:	-8.93066
Coulombic:	-48.6822

Bond Count [?]

All:	36
Single:	23
Double:	13
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	426.421
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	4.06
LogP (Chemaxon):	4.64

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