Chemical ID: 3963715

COc1ccc(cc1N2CCNCC2)Cl
Chemical ID:
3963715
Name [?]:
1-(5-chloro-2-methoxy-phenyl)piperazine
SMILES [?]:
COc1ccc(cc1N2CCNCC2)Cl
InChi [?]:
InChI=1/C11H15ClN2O/c1-15-11-3-2-9(12)8-10(11)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,11,13,10,14,7,6,8,3,15,12,9,2/E:(4,5)(6,7)/rA:15nCOCCCCCCNCCNCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s9s13;s6;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15ClN2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.56284
Area:393.436
Solvation:-3.27307
Coulombic:-22.2724
Bond Count [?]
All:16
Single:13
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:226.702
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.17
LogP (Chemaxon):2.02

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue