Chemical ID: 4587234

c1cc(ccc1c2c[nH]cn2)[N+](=O)[O-]
Chemical ID:
4587234
Name [?]:
4-(4-nitrophenyl)-1H-imidazole
SMILES [?]:
c1cc(ccc1c2c[nH]cn2)[N+](=O)[O-]
InChi [?]:
InChI=1/C9H7N3O2/c13-12(14)8-3-1-7(2-4-8)9-5-10-6-11-9/h1-6H,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,8,10,6,3,7,9,11,12,13,14/E:(1,2)(3,4)(13,14)/CRV:12.5/rA:14nCCCCCCCCNCNN+OO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s3;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7N3O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:1.83829
Area:355.608
Solvation:-7.0519
Coulombic:-27.53
Bond Count [?]
All:15
Single:9
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:189.171
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.99
LogP (Chemaxon):1.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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