Chemical ID: 3990068

c1cc(c(cc1Cl)Cl)C(=O)NCC(=O)O
Chemical ID:
3990068
Name [?]:
2-(2,4-dichlorobenzoyl)aminoacetic acid
SMILES [?]:
c1cc(c(cc1Cl)Cl)C(=O)NCC(=O)O
InChi [?]:
InChI=1/C9H7Cl2NO3/c10-5-1-2-6(7(11)3-5)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,5,12,6,3,4,13,9,7,8,11,14,15,10/E:(13,14)/rA:15nCCCCCCClClCONCCOO/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;d9;s9;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7Cl2NO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.67868
Area:415.129
Solvation:-2.69955
Coulombic:-48.6384
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:248.062
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.05
LogP (Chemaxon):1.52

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Descriptor Annotations

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