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Chemical ID: 7698338

c1ccc(cc1)CCCN2CCN(CC2)Cc3ccccc3[N+](=O)[O-]

Chemical ID:

7698338

Name [?]:

None

SMILES [?]:

c1ccc(cc1)CCCN2CCN(CC2)Cc3ccccc3[N+](=O)[O-]

InChi [?]:

InChI=1/C20H25N3O2/c24-23(25)20-11-5-4-10-19(20)17-22-15-13-21(14-16-22)12-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11H,6,9,12-17H2

InChi Info:

AuxInfo=1/0/N:1,2,6,19,20,8,3,5,7,18,21,9,11,15,12,14,16,4,17,22,10,13,23,24,25/E:(2,3)(7,8)(13,14)(15,16)(24,25)/CRV:23.5/rA:25nCCCCCCCCCNCCNCCCCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₅N₃O₂
All Atoms:	50
Heavy Atoms:	25
Chiral Atoms:	None

ZAP Information [?]

Total:	7.17835
Area:	567.159
Solvation:	-7.00061
Coulombic:	-24.3148

Bond Count [?]

All:	27
Single:	20
Double:	7
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.41
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