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Chemical ID: 6872339
Chemical ID:
6872339
Name [?]:
methyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]acetate
SMILES [?]:
COC(=O)COc1ccc(cc1)C(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C16H14ClNO4/c1-21-15(19)10-22-14-8-2-11(3-9-14)16(20)18-13-6-4-12(17)5-7-13/h2-9H,10H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,9,11,18,20,17,21,8,12,5,10,19,16,7,3,13,22,15,4,14,2,6/E:(2,3)(4,5)(6,7)(8,9)/rA:22nCOCOCOCCCCCCCONCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClNO4 |
All Atoms: | 36 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.84516 |
Area: | 534.625 |
Solvation: | -4.52046 |
Coulombic: | -48.5385 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 319.739 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.23 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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