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Chemical ID: 5327676
Chemical ID:
5327676
Name [?]:
ethyl 3-(2-chlorophenyl)amino-3-oxo-propanoate
SMILES [?]:
CCOC(=O)CC(=O)Nc1ccccc1Cl
InChi [?]:
InChI=1/C11H12ClNO3/c1-2-16-11(15)7-10(14)13-9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,13,12,14,11,6,15,10,7,4,16,9,8,5,3/rA:16nCCOCOCCONCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12ClNO3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.14809 |
Area: | 426.95 |
Solvation: | -3.52566 |
Coulombic: | -37.2327 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 241.671 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.85 |
LogP (Chemaxon): | 1.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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