Chemical ID: 5097498

c1cc(c(cc1Cl)C(C(=O)O)N)Cl
Chemical ID:
5097498
Name [?]:
2-amino-2-(2,5-dichlorophenyl)-acetic acid
SMILES [?]:
c1cc(c(cc1Cl)C(C(=O)O)N)Cl
InChi [?]:
InChI=1/C8H7Cl2NO2/c9-4-1-2-6(10)5(3-4)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,3,8,9,7,13,12,10,11/E:(12,13)/rA:13cCCCCCCClCCOONCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s9;s8;s3;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7Cl2NO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:7.33445
Area:364.238
Solvation:-1.77149
Coulombic:-40.7461
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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Experimental Annotations

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Descriptor Annotations

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