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Chemical ID: 4926212
Chemical ID:
4926212
Name [?]:
1-(3,4-dichlorophenyl)-3-diethylamino-propan-1-one
SMILES [?]:
CCN(CC)CCC(=O)c1ccc(c(c1)Cl)Cl
InChi [?]:
InChI=1/C13H17Cl2NO/c1-3-16(4-2)8-7-13(17)10-5-6-11(14)12(15)9-10/h5-6,9H,3-4,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,11,12,7,6,15,10,13,14,8,17,16,3,9/E:(1,2)(3,4)/rA:17nCCNCCCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s3;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;s13;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17Cl2NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.98619 |
Area: | 478.916 |
Solvation: | -1.98672 |
Coulombic: | -14.4024 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 274.186 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.64 |
LogP (Chemaxon): | 3.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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