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Chemical ID: 4568279
Chemical ID:
4568279
Name [?]:
N-[(4-chlorophenyl)methyl]-2-(4-methyl-2-oxo-chromen-7-yl)oxy-acetamide
SMILES [?]:
Cc1cc(=O)oc2c1ccc(c2)OCC(=O)NCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H16ClNO4/c1-12-8-19(23)25-17-9-15(6-7-16(12)17)24-11-18(22)21-10-13-2-4-14(20)5-3-13/h2-9H,10-11H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,20,24,21,23,10,9,3,12,18,14,2,19,22,11,8,7,15,4,25,17,16,5,13,6/E:(2,3)(4,5)/rA:25nCCCCOOCCCCCCOCCONCCCCCCCCl/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s11;s13;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16ClNO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.07408 |
Area: | 581.295 |
Solvation: | -5.45829 |
Coulombic: | -47.6294 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.787 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.55 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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