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Chemical ID: 4715166

c1cc(c(nc1)N2CCN(CC2)c3c(cccn3)[N+](=O)[O-])[N+](=O)[O-]

Chemical ID:

4715166

Name [?]:

1,4-bis(3-nitro-2-pyridyl)piperazine

SMILES [?]:

c1cc(c(nc1)N2CCN(CC2)c3c(cccn3)[N+](=O)[O-])[N+](=O)[O-]

InChi [?]:

InChI=1/C14H14N6O4/c21-19(22)11-3-1-5-15-13(11)17-7-9-18(10-8-17)14-12(20(23)24)4-2-6-16-14/h1-6H,7-10H2

InChi Info:

AuxInfo=1/0/N:1,16,2,15,6,17,8,12,9,11,3,14,4,13,5,18,7,10,22,19,23,24,20,21/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22,23,24)/CRV:19.5,20.5/rA:24nCCCCNCNCCNCCCCCCCNN+OO-N+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;d14;s15;d16;d13s17;s14;d19;s19;s3;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₄N₆O₄
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	-1.55757
Area:	491.96
Solvation:	-13.8566
Coulombic:	-47.6628

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	330.299
H-Bond Donors:	0
H-Bond Acceptors:	8
XLogP:	2.53
LogP (Chemaxon):	2.95

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