Chemical ID: 6333420

CCN1CCN(CC1)C(=O)C(C)Oc2ccc(cc2C)Cl
Chemical ID:
6333420
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-1-(4-ethylpiperazin-1-yl)-propan-1-one
SMILES [?]:
CCN1CCN(CC1)C(=O)C(C)Oc2ccc(cc2C)Cl
InChi [?]:
InChI=1/C16H23ClN2O2/c1-4-18-7-9-19(10-8-18)16(20)13(3)21-15-6-5-14(17)11-12(15)2/h5-6,11,13H,4,7-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,12,2,16,15,4,8,5,7,18,19,11,17,14,9,21,3,6,10,13/E:(7,8)(9,10)/rA:21cCCNCCNCCCOCCOCCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s9;s11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H23ClN2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.01628
Area:514.556
Solvation:-3.84761
Coulombic:-29.5095
Bond Count [?]
All:22
Single:18
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:310.819
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.69
LogP (Chemaxon):2.63

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