Chemical ID: 7515361

c1cc(ccc1C(=Cc2cc(c(c(c2)Cl)OCC(=O)O)Cl)C#N)Cl
Chemical ID:
7515361
Name [?]:
2-[2,6-dichloro-4-[2-(4-chlorophenyl)-2-cyano-vinyl]-phenoxy]acetic acid
SMILES [?]:
c1cc(ccc1C(=Cc2cc(c(c(c2)Cl)OCC(=O)O)Cl)C#N)Cl
InChi [?]:
InChI=1/C17H10Cl3NO3/c18-13-3-1-11(2-4-13)12(8-21)5-10-6-14(19)17(15(20)7-10)24-9-16(22)23/h1-7H,9H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,8,10,14,22,17,9,6,7,3,11,13,18,12,24,21,15,23,19,20,16/E:(1,2)(3,4)(6,7)(14,15)(19,20)(22,23)/rA:24nCCCCCCCCCCCCCCClOCCOOClCNCl/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s11;d12;d9s13;s13;s12;s16;s17;d18;s18;s11;s7;t22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H10Cl3NO3
All Atoms:34
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:9.72558
Area:562.137
Solvation:-4.32784
Coulombic:-40.4539
Bond Count [?]
All:25
Single:16
Double:8
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.04
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