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Chemical ID: 4421340
Chemical ID:
4421340
Name [?]:
3-amino-N-(2,6-dimethylphenyl)-3-hydroxyimino-propanamide
SMILES [?]:
Cc1cccc(c1NC(=O)CC(=NO)N)C
InChi [?]:
InChI=1/C11H15N3O2/c1-7-4-3-5-8(2)11(7)13-10(15)6-9(12)14-16/h3-5,16H,6H2,1-2H3,(H2,12,14)(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,16,4,3,5,11,2,6,12,9,7,15,8,13,10,14/E:(1,2)(4,5)(7,8)/rA:16nCCCCCCCNCOCCNONC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;w12;s13;s12;s6;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15N3O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.66713 |
Area: | 403.722 |
Solvation: | -3.42591 |
Coulombic: | -48.2769 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 221.256 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 0.76 |
LogP (Chemaxon): | 0.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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