Chemical ID: 4777405

CC(C)(CC(=O)Nc1cc(cc(c1)Cl)Cl)CC(=O)O
Chemical ID:
4777405
Name [?]:
5-(3,5-dichlorophenyl)amino-3,3-dimethyl-5-oxo-pentanoic acid
SMILES [?]:
CC(C)(CC(=O)Nc1cc(cc(c1)Cl)Cl)CC(=O)O
InChi [?]:
InChI=1/C13H15Cl2NO3/c1-13(2,7-12(18)19)6-11(17)16-10-4-8(14)3-9(15)5-10/h3-5H,6-7H2,1-2H3,(H,16,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,11,9,13,4,16,10,12,8,5,17,2,15,14,7,6,18,19/E:(1,2)(4,5)(8,9)(14,15)(18,19)/rA:19nCCCCCONCCCCCCClClCCOO/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;s10;s2;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15Cl2NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.00779
Area:488.869
Solvation:-3.21393
Coulombic:-45.9288
Bond Count [?]
All:19
Single:14
Double:5
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:304.169
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.36
LogP (Chemaxon):3.36

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