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Chemical ID: 6646537
Chemical ID:
6646537
Name [?]:
N-(3-chloro-2-methyl-phenyl)-N'-[(3-hydroxyphenyl)methyleneamino]oxamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)C(=O)NN=Cc2cccc(c2)O
InChi [?]:
InChI=1/C16H14ClN3O3/c1-10-13(17)6-3-7-14(10)19-15(22)16(23)20-18-9-11-4-2-5-12(21)8-11/h2-9,21H,1H3,(H,19,22)(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,19,5,18,20,6,4,22,16,2,17,21,7,3,10,12,8,15,9,14,23,11,13/rA:23nCCCCCCCClNCOCONNCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClN3O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.86019 |
Area: | 533.385 |
Solvation: | -3.47443 |
Coulombic: | -60.9038 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 331.753 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 3.47 |
LogP (Chemaxon): | 3.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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