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Chemical ID: 6491788
Chemical ID:
6491788
Name [?]:
2-(2,6-dichlorophenyl)amino-2-phenyl-acetate
SMILES [?]:
c1ccc(cc1)C(C(=O)[O-])Nc2c(cccc2Cl)Cl
InChi [?]:
InChI=1/C14H11Cl2NO2/c15-10-7-4-8-11(16)13(10)17-12(14(18)19)9-5-2-1-3-6-9/h1-8,12,17H,(H,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,15,3,5,14,16,4,13,17,7,12,8,19,18,11,9,10/E:(2,3)(5,6)(7,8)(10,11)(15,16)(18,19)/rA:19cCCCCCCCCOO-NCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s7;s11;s12;d13;s14;d15;d12s16;s17;s13;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Cl2NO2- |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -33.5442 |
Area: | 438.945 |
Solvation: | -44.5178 |
Coulombic: | -11.1401 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 295.14 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.39 |
LogP (Chemaxon): | 4.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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