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Chemical ID: 6049184
Chemical ID:
6049184
Name [?]:
amino-(2,6-dimethylphenyl)-methanone oxime
SMILES [?]:
Cc1cccc(c1C(=NO)N)C
InChi [?]:
InChI=1/C9H12N2O/c1-6-4-3-5-7(2)8(6)9(10)11-12/h3-5,12H,1-2H3,(H2,10,11)
InChi Info:
AuxInfo=1/1/N:1,12,4,3,5,2,6,7,8,11,9,10/E:(1,2)(4,5)(6,7)/rA:12nCCCCCCCCNONC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s8;s6;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.42259 |
Area: | 324.676 |
Solvation: | -1.69432 |
Coulombic: | -31.2498 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 164.204 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 2.34 |
LogP (Chemaxon): | 1.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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