Chemical ID: 4421340

Cc1cccc(c1NC(=O)CC(=NO)N)C
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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Descriptor Annotations

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