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Chemical ID: 7513954
Chemical ID:
7513954
Name [?]:
ethyl 4-(3-chloro-4-ethoxy-benzoyl)aminobenzoate
SMILES [?]:
CCOc1ccc(cc1Cl)C(=O)Nc2ccc(cc2)C(=O)OCC
InChi [?]:
InChI=1/C18H18ClNO4/c1-3-23-16-10-7-13(11-15(16)19)17(21)20-14-8-5-12(6-9-14)18(22)24-4-2/h5-11H,3-4H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,24,2,23,16,18,6,15,19,5,8,17,7,14,9,4,11,20,10,13,12,21,3,22/E:(5,6)(8,9)/rA:24nCCOCCCCCCClCONCCCCCCCOOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18ClNO4 |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.5221 |
Area: | 579.832 |
Solvation: | -3.97365 |
Coulombic: | -49.399 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.31 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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