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Chemical ID: 6343303
Chemical ID:
6343303
Name [?]:
3-chloro-N-(5-chloro-2-methoxy-phenyl)-propanamide
SMILES [?]:
COc1ccc(cc1NC(=O)CCCl)Cl
InChi [?]:
InChI=1/C10H11Cl2NO2/c1-15-9-3-2-7(12)6-8(9)13-10(14)4-5-11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,5,4,12,13,7,6,8,3,10,14,15,9,11,2/rA:15nCOCCCCCCNCOCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s6;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11Cl2NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.86732 |
Area: | 428.467 |
Solvation: | -2.84434 |
Coulombic: | -28.071 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 248.105 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.41 |
LogP (Chemaxon): | 2.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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