Chemical ID: 4260788

c1c(cc(c(c1N)O)[N+](=O)[O-])[N+](=O)[O-]
Chemical ID:
4260788
Name [?]:
2-amino-4,6-dinitro-phenol
SMILES [?]:
c1c(cc(c(c1N)O)[N+](=O)[O-])[N+](=O)[O-]
InChi [?]:
InChI=1/C6H5N3O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H,7H2
InChi Info:
AuxInfo=1/0/N:1,3,2,6,4,5,7,12,9,8,13,14,10,11/E:(11,12)(13,14)/CRV:8.5,9.5/rA:14nCCCCCCNON+OO-N+OO-/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;d9;s9;s2;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H5N3O5
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-5.83298
Area:347.599
Solvation:-14.523
Coulombic:-48.1773
Bond Count [?]
All:14
Single:9
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:199.121
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:1.19
LogP (Chemaxon):0.89

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue