Chemical ID: 6718957

CC1CCC[NH+](C1)C2CC[NH+](CC2)Cc3cccc(c3)Cl
Chemical ID:
6718957
Name [?]:
1-[1-[(3-chlorophenyl)methyl]-3,4,5,6-tetrahydro-2H-pyridin-4-yl]-3-methyl-3,4,5,6-tetrahydro-2H-pyridine
SMILES [?]:
CC1CCC[NH+](C1)C2CC[NH+](CC2)Cc3cccc(c3)Cl
InChi [?]:
InChI=1/C18H27ClN2/c1-15-4-3-9-21(13-15)18-7-10-20(11-8-18)14-16-5-2-6-17(19)12-16/h2,5-6,12,15,18H,3-4,7-11,13-14H2,1H3/p+2
InChi Info:
AuxInfo=1/1/N:1,17,4,3,16,18,9,13,5,10,12,20,7,14,2,15,19,8,21,11,6/E:(7,8)(10,11)/rA:21cCCCCCN+CCCCN+CCCCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H29ClN2+2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:-81.1619
Area:513.934
Solvation:-94.0103
Coulombic:94.8639
Bond Count [?]
All:23
Single:20
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:308.889
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.95
LogP (Chemaxon):3.55

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