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Chemical ID: 4260788
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
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Experimental Annotations
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Descriptor Annotations
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