Chemical ID: 4777356

CC(CC(=O)Nc1cc(cc(c1)Cl)Cl)CC(=O)O
Chemical ID:
4777356
Name [?]:
5-(3,5-dichlorophenyl)amino-3-methyl-5-oxo-pentanoic acid
SMILES [?]:
CC(CC(=O)Nc1cc(cc(c1)Cl)Cl)CC(=O)O
InChi [?]:
InChI=1/C12H13Cl2NO3/c1-7(3-12(17)18)2-11(16)15-10-5-8(13)4-9(14)6-10/h4-7H,2-3H2,1H3,(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,15,10,8,12,2,9,11,7,4,16,14,13,6,5,17,18/E:(5,6)(8,9)(13,14)(17,18)/rA:18cCCCCONCCCCCCClClCCOO/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;s9;s2;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13Cl2NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.69701
Area:481.262
Solvation:-3.33454
Coulombic:-45.5405
Bond Count [?]
All:18
Single:13
Double:5
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:290.142
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.76
LogP (Chemaxon):2.93

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