Chemical ID: 4314681

c1cc(c(cc1C(=O)Nc2ccc(cc2C(=O)O)O)Cl)Cl
Chemical ID:
4314681
Name [?]:
2-(3,4-dichlorobenzoyl)amino-5-hydroxy-benzoic acid
SMILES [?]:
c1cc(c(cc1C(=O)Nc2ccc(cc2C(=O)O)O)Cl)Cl
InChi [?]:
InChI=1/C14H9Cl2NO4/c15-10-3-1-7(5-11(10)16)13(19)17-12-4-2-8(18)6-9(12)14(20)21/h1-6,18H,(H,17,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,12,2,11,5,14,6,13,15,3,4,10,7,16,21,20,9,19,8,17,18/E:(20,21)/rA:21nCCCCCCCONCCCCCCCOOOClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;d16;s16;s13;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9Cl2NO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.33451
Area:496.097
Solvation:-3.06792
Coulombic:-65.731
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:326.131
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.67
LogP (Chemaxon):4.02

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