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Chemical ID: 7664307

CCC(C)(C)C1CCC(=NNC(=O)c2ccc(o2)COc3ccc(c(c3)C)[N+](=O)[O-])CC1

Chemical ID:

7664307

Name [?]:

None

SMILES [?]:

CCC(C)(C)C1CCC(=NNC(=O)c2ccc(o2)COc3ccc(c(c3)C)[N+](=O)[O-])CC1

InChi [?]:

InChI=1/C24H31N3O5/c1-5-24(3,4)17-6-8-18(9-7-17)25-26-23(28)22-13-11-20(32-22)15-31-19-10-12-21(27(29)30)16(2)14-19/h10-14,17H,5-9,15H2,1-4H3,(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,27,4,5,2,7,32,8,31,22,16,23,15,26,19,25,6,9,21,17,24,14,12,3,10,11,28,13,29,30,20,18/E:(3,4)(6,7)(8,9)(29,30)/CRV:27.5/rA:32nCCCCCCCCCNNCOCCCCOCOCCCCCCCN+OO-CC/rB:s1;s2;s3;s3;s3;s6;s7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s14s17;s17;s19;s20;s21;d22;s23;d24;d21s25;s25;s24;d28;s28;s9;s6s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₁N₃O₅
All Atoms:	63
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	7.94701
Area:	709.519
Solvation:	-9.79098
Coulombic:	-48.1402

Bond Count [?]

All:	34
Single:	26
Double:	8
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.29
LogP (Chemaxon):	None

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