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Chemical ID: 7690397

COc1ccc2c(c1)c3c([nH]2)C(N(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)c7ccc(cc7)[N+](=O)[O-]

Chemical ID:

7690397

Name [?]:

None

SMILES [?]:

COc1ccc2c(c1)c3c([nH]2)C(N(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)c7ccc(cc7)[N+](=O)[O-]

InChi [?]:

InChI=1/C29H31N3O4/c1-36-22-6-7-25-24(13-22)23-8-9-31(27(26(23)30-25)20-2-4-21(5-3-20)32(34)35)28(33)29-14-17-10-18(15-29)12-19(11-17)16-29/h2-7,13,17-19,27,30H,8-12,14-16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,29,33,30,32,4,5,15,14,21,24,26,8,23,19,27,22,20,25,28,31,3,9,7,6,10,12,16,18,11,13,34,17,35,36,2/E:(2,3)(4,5)(10,11,12)(14,15,16)(17,18,19)(34,35)/CRV:32.5/rA:36cCOCCCCCCCCNCNCCCOCCCCCCCCCCCCCCCCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s10;s12;s13;s9s14;s13;d16;s16;s18;s19;s20;s21;s18s22;s22;s24;s20s25;s18s25;s12;s28;d29;s30;d31;d28s32;s31;d34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₁N₃O₄
All Atoms:	67
Heavy Atoms:	36
Chiral Atoms:	None

ZAP Information [?]

Total:	7.96139
Area:	656.355
Solvation:	-8.44749
Coulombic:	-48.7319

Bond Count [?]

All:	42
Single:	33
Double:	9
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.71
LogP (Chemaxon):	None

Name Annotations

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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