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Chemical ID: 4382997
Chemical ID:
4382997
Name [?]:
methyl 4-[(2-chlorophenyl)carbamoylmethoxy]benzoate
SMILES [?]:
COC(=O)c1ccc(cc1)OCC(=O)Nc2ccccc2Cl
InChi [?]:
InChI=1/C16H14ClNO4/c1-21-16(20)11-6-8-12(9-7-11)22-10-15(19)18-14-5-3-2-4-13(14)17/h2-9H,10H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,17,6,10,7,9,12,5,8,21,16,13,3,22,15,14,4,2,11/E:(6,7)(8,9)/rA:22nCOCOCCCCCCOCCONCCCCCCCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClNO4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.66219 |
Area: | 529.994 |
Solvation: | -4.58765 |
Coulombic: | -48.9228 |
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): | 2.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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