Chemical ID: 4926212

CCN(CC)CCC(=O)c1ccc(c(c1)Cl)Cl
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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Descriptor Annotations

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