Chemical ID: 7090454

c1cc(ccc1C(=O)N2CCN(CC2)C(=N)N)[N+](=O)[O-]
Chemical ID:
7090454
Name [?]:
4-(4-nitrobenzoyl)piperazine-1-carboxamidine
SMILES [?]:
c1cc(ccc1C(=O)N2CCN(CC2)C(=N)N)[N+](=O)[O-]
InChi [?]:
InChI=1/C12H15N5O3/c13-12(14)16-7-5-15(6-8-16)11(18)9-1-3-10(4-2-9)17(19)20/h1-4H,5-8H2,(H3,13,14)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,10,14,11,13,6,3,7,15,16,17,9,12,18,8,19,20/E:(1,2)(3,4)(5,6)(7,8)(13,14)(19,20)/CRV:17.5/rA:20nCCCCCCCONCCNCCCNNN+OO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s12;w15;s15;s3;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15N5O3
All Atoms:35
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:2.80943
Area:460.631
Solvation:-8.70635
Coulombic:-61.8337
Bond Count [?]
All:21
Single:15
Double:6
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:277.279
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:1.3
LogP (Chemaxon):0.77

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Descriptor Annotations

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