Chemical ID: 4981430

c1cc(c(nc1)N2CCNCC2)[N+](=O)[O-]
Chemical ID:
4981430
Name [?]:
1-(3-nitro-2-pyridyl)piperazine
SMILES [?]:
c1cc(c(nc1)N2CCNCC2)[N+](=O)[O-]
InChi [?]:
InChI=1/C9H12N4O2/c14-13(15)8-2-1-3-11-9(8)12-6-4-10-5-7-12/h1-3,10H,4-7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,9,11,8,12,3,4,10,5,7,13,14,15/E:(4,5)(6,7)(14,15)/CRV:13.5/rA:15nCCCCNCNCCNCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s3;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12N4O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:1.45127
Area:358.245
Solvation:-7.50485
Coulombic:-32.2039
Bond Count [?]
All:16
Single:12
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:208.217
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.88
LogP (Chemaxon):1.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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