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Chemical ID: 5765586
Chemical ID:
5765586
Name [?]:
N-[2-(amino-hydroxyimino-methyl)ethyl]-4-chloro-N-methyl-benzamide
SMILES [?]:
CN(CCC(=NO)N)C(=O)c1ccc(cc1)Cl
InChi [?]:
InChI=1/C11H14ClN3O2/c1-15(7-6-10(13)14-17)11(16)8-2-4-9(12)5-3-8/h2-5,17H,6-7H2,1H3,(H2,13,14)
InChi Info:
AuxInfo=1/1/N:1,12,16,13,15,4,3,11,14,5,9,17,8,6,2,10,7/E:(2,3)(4,5)/rA:17nCNCCCNONCOCCCCCCCl/rB:s1;s2;s3;s4;w5;s6;s5;s2;d9;s9;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14ClN3O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.14672 |
Area: | 447.056 |
Solvation: | -3.02969 |
Coulombic: | -47.186 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 255.701 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.56 |
LogP (Chemaxon): | 0.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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