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Chemical ID: 5269139

c1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)[N+](=O)[O-])CCCN5CCOCC5

Chemical ID:

5269139

Name [?]:

None

SMILES [?]:

c1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)[N+](=O)[O-])CCCN5CCOCC5

InChi [?]:

InChI=1/C24H23N3O6/c28-22-18-4-1-2-5-19(18)33-23-20(22)21(16-6-8-17(9-7-16)27(30)31)26(24(23)29)11-3-10-25-12-14-32-15-13-25/h1-2,4-9,21H,3,10-15H2

InChi Info:

AuxInfo=1/0/N:1,2,26,6,3,17,21,18,20,27,25,29,33,30,32,16,19,5,4,9,15,7,10,12,28,14,22,8,13,23,24,31,11/E:(6,7)(8,9)(12,13)(14,15)(30,31)/CRV:27.5/rA:33cCCCCCCCOCCOCONCCCCCCCN+OO-CCCNCCOCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;s10;d12;s12;s9s14;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s14;s25;s26;s27;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃N₃O₆
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	6.29532
Area:	675.267
Solvation:	-10.5863
Coulombic:	-59.4369

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	449.456
H-Bond Donors:	0
H-Bond Acceptors:	8
XLogP:	2.0
LogP (Chemaxon):	2.3

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