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Chemical ID: 7741736

c1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)Cc4ccc(cc4)[N+](=O)[O-]

Chemical ID:

7741736

Name [?]:

None

SMILES [?]:

c1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)Cc4ccc(cc4)[N+](=O)[O-]

InChi [?]:

InChI=1/C21H20N2O5/c24-18-14-21(28-19-4-2-1-3-17(18)19)9-11-22(12-10-21)20(25)13-15-5-7-16(8-6-15)23(26)27/h1-8H,9-14H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,21,25,22,24,12,16,13,15,19,9,20,23,5,7,4,17,10,14,26,8,18,27,28,11/E:(5,6)(7,8)(9,10)(11,12)(26,27)/CRV:23.5/rA:28nCCCCCCCOCCOCCNCCCOCCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4s10;s10;s12;s13;s14;s10s15;s14;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₀N₂O₅
All Atoms:	48
Heavy Atoms:	28
Chiral Atoms:	None

ZAP Information [?]

Total:	5.10456
Area:	576.953
Solvation:	-9.31927
Coulombic:	-43.6569

Bond Count [?]

All:	31
Single:	22
Double:	9
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.87
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