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Chemical ID: 6626730
Chemical ID:
6626730
Name [?]:
N'-[(2-chlorophenyl)methyleneamino]-N-(2-methoxyphenyl)-oxamide
SMILES [?]:
COc1ccccc1NC(=O)C(=O)NN=Cc2ccccc2Cl
InChi [?]:
InChI=1/C16H14ClN3O3/c1-23-14-9-5-4-8-13(14)19-15(21)16(22)20-18-10-11-6-2-3-7-12(11)17/h2-10H,1H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,19,20,6,5,18,21,7,4,16,17,22,8,3,10,12,23,15,9,14,11,13,2/rA:23nCOCCCCCCNCOCONNCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClN3O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.69252 |
Area: | 531.252 |
Solvation: | -3.58878 |
Coulombic: | -53.319 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 331.753 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.56 |
LogP (Chemaxon): | 3.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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