Chemical ID: 6883643

COc1cccc(c1)C(=O)OCC(=O)Nc2ccc(c(c2)Cl)Cl
Chemical ID:
6883643
Name [?]:
(3,4-dichlorophenyl)carbamoylmethyl 3-methoxybenzoate
SMILES [?]:
COc1cccc(c1)C(=O)OCC(=O)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C16H13Cl2NO4/c1-22-12-4-2-3-10(7-12)16(21)23-9-15(20)19-11-5-6-13(17)14(18)8-11/h2-8H,9H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,17,18,8,21,12,7,16,3,19,20,13,9,23,22,15,14,10,2,11/rA:23nCOCCCCCCCOOCCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13Cl2NO4
All Atoms:36
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.54852
Area:562.543
Solvation:-4.51505
Coulombic:-48.4283
Bond Count [?]
All:24
Single:16
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:354.184
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.86
LogP (Chemaxon):3.46

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue