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Chemical ID: 6414710
Chemical ID:
6414710
Name [?]:
2-(3-chlorophenoxy)-N-[(3-hydroxyphenyl)methyleneamino]acetamide
SMILES [?]:
c1cc(cc(c1)O)C=NNC(=O)COc2cccc(c2)Cl
InChi [?]:
InChI=1/C15H13ClN2O3/c16-12-4-2-6-14(8-12)21-10-15(20)18-17-9-11-3-1-5-13(19)7-11/h1-9,19H,10H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,17,2,18,6,16,4,20,8,13,3,19,5,15,11,21,9,10,7,12,14/rA:21nCCCCCCOCNNCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13ClN2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.6185 |
Area: | 517.738 |
Solvation: | -6.32494 |
Coulombic: | -41.8479 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 304.728 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.89 |
LogP (Chemaxon): | 3.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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