Chemical ID: 5574658

c1cc(cc(c1)Cl)C(=O)COc2ccc(cc2)C#N
Chemical ID:
5574658
Name [?]:
4-[2-(3-chlorophenyl)-2-oxo-ethoxy]benzonitrile
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)COc2ccc(cc2)C#N
InChi [?]:
InChI=1/C15H10ClNO2/c16-13-3-1-2-12(8-13)15(18)10-19-14-6-4-11(9-17)5-7-14/h1-8H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,16,13,17,4,18,10,15,3,5,12,8,7,19,9,11/E:(4,5)(6,7)/rA:19nCCCCCCClCOCOCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10ClNO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.69285
Area:484.237
Solvation:-4.41308
Coulombic:-19.6513
Bond Count [?]
All:20
Single:12
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:271.698
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.61
LogP (Chemaxon):3.19

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