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Chemical ID: 6409408
Chemical ID:
6409408
Name [?]:
2-(3-chlorophenyl)amino-N-[(2-methoxyphenyl)methyleneamino]acetamide
SMILES [?]:
COc1ccccc1C=NNC(=O)CNc2cccc(c2)Cl
InChi [?]:
InChI=1/C16H16ClN3O2/c1-22-15-8-3-2-5-12(15)10-19-20-16(21)11-18-14-7-4-6-13(17)9-14/h2-10,18H,11H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,6,5,18,7,19,17,4,21,9,14,8,20,16,3,12,22,15,10,11,13,2/rA:22nCOCCCCCCCNNCOCNCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClN3O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.62429 |
Area: | 539.899 |
Solvation: | -4.87319 |
Coulombic: | -38.7612 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 317.77 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.94 |
LogP (Chemaxon): | 3.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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