Chemical ID: 5309250

c1cc(c(c(c1)Cl)Cl)C(C(=O)O)N
Chemical ID:
5309250
Name [?]:
2-amino-2-(2,3-dichlorophenyl)-acetic acid
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)C(C(=O)O)N
InChi [?]:
InChI=1/C8H7Cl2NO2/c9-5-3-1-2-4(6(5)10)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,9,10,7,8,13,11,12/E:(12,13)/rA:13cCCCCCCClClCCOON/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;d10;s10;s9;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7Cl2NO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:6.85492
Area:356.201
Solvation:-2.05011
Coulombic:-40.6878
Bond Count [?]
All:13
Single:9
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:220.052
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:-0.53
LogP (Chemaxon):-0.36

Name Annotations

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Descriptor Annotations

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