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Chemical ID: 6450759
Chemical ID:
6450759
Name [?]:
2-[(4-methyl-3-nitro-2-pyridyl)amino]ethanol
SMILES [?]:
Cc1ccnc(c1[N+](=O)[O-])NCCO
InChi [?]:
InChI=1/C8H11N3O3/c1-6-2-3-9-8(10-4-5-12)7(6)11(13)14/h2-3,12H,4-5H2,1H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,3,4,12,13,2,7,6,5,11,8,14,9,10/E:(13,14)/CRV:11.5/rA:14nCCCCNCCN+OO-NCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s6;s11;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H11N3O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.61812 |
Area: | 365.764 |
Solvation: | -7.52598 |
Coulombic: | -47.0665 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 197.191 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.07 |
LogP (Chemaxon): | 1.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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