Chemical ID: 7644170

CCC1CN2CCc3cc(c(cc3C2CC1CCO)OC)O
Chemical ID:
7644170
Name [?]:
None
SMILES [?]:
CCC1CN2CCc3cc(c(cc3C2CC1CCO)OC)O
InChi [?]:
InChI=1/C18H27NO3/c1-3-12-11-19-6-4-14-9-17(21)18(22-2)10-15(14)16(19)8-13(12)5-7-20/h9-10,12-13,16,20-21H,3-8,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,7,17,6,18,15,9,12,4,3,16,8,13,14,10,11,5,19,22,20/rA:22cCCCCNCCCCCCCCCCCCCOOCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s5s13;s14;s3s15;s16;s17;s18;s11;s20;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H27NO3
All Atoms:49
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:7.35495
Area:496.78
Solvation:-5.06455
Coulombic:-45.2846
Bond Count [?]
All:24
Single:21
Double:3
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.48
LogP (Chemaxon):None

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