Chemical ID: 7532012

COc1c(cc(cc1Cl)C(=O)Nc2ccc(cc2)C(=O)O)Cl
Chemical ID:
7532012
Name [?]:
4-(3,5-dichloro-4-methoxy-benzoyl)aminobenzoic acid
SMILES [?]:
COc1c(cc(cc1Cl)C(=O)Nc2ccc(cc2)C(=O)O)Cl
InChi [?]:
InChI=1/C15H11Cl2NO4/c1-22-13-11(16)6-9(7-12(13)17)14(19)18-10-4-2-8(3-5-10)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,15,17,14,18,5,7,16,6,13,4,8,3,10,19,22,9,12,11,20,21,2/E:(2,3)(4,5)(6,7)(11,12)(16,17)(20,21)/rA:22nCOCCCCCCClCONCCCCCCCOOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11Cl2NO4
All Atoms:33
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:9.19676
Area:527.528
Solvation:-3.99144
Coulombic:-56.7563
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.77
LogP (Chemaxon):None

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