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Chemical ID: 3990068
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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