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Chemical ID: 6659069
Chemical ID:
6659069
Name [?]:
N-(3-chloro-2-methyl-phenyl)-3-oxo-butanamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)CC(=O)C
InChi [?]:
InChI=1/C11H12ClNO2/c1-7(14)6-11(15)13-10-5-3-4-9(12)8(10)2/h3-5H,6H2,1-2H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:15,1,5,6,4,12,13,2,7,3,10,8,9,14,11/rA:15nCCCCCCCClNCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12ClNO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.70165 |
Area: | 399.012 |
Solvation: | -4.27366 |
Coulombic: | -24.2847 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 225.671 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.6 |
LogP (Chemaxon): | 2.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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