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Chemical ID: 4981430
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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