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Chemical ID: 4737854
Chemical ID:
4737854
Name [?]:
ethyl 2-(4-chlorobenzoyl)amino-5-methyl-benzoate
SMILES [?]:
CCOC(=O)c1cc(ccc1NC(=O)c2ccc(cc2)Cl)C
InChi [?]:
InChI=1/C17H16ClNO3/c1-3-22-17(21)14-10-11(2)4-9-15(14)19-16(20)12-5-7-13(18)8-6-12/h4-10H,3H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,2,9,16,20,17,19,10,7,8,15,18,6,11,13,4,21,12,14,5,3/E:(5,6)(7,8)/rA:22nCCOCOCCCCCCNCOCCCCCCClC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16ClNO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0858 |
Area: | 527.919 |
Solvation: | -2.11219 |
Coulombic: | -43.5712 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 317.767 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.84 |
LogP (Chemaxon): | 4.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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