Chemical ID: 5126281

CN1CCC23c4c5ccc(c4OC2C(CCC3C1C5)O)O
Chemical ID:
5126281
Name [?]:
None
SMILES [?]:
CN1CCC23c4c5ccc(c4OC2C(CCC3C1C5)O)O
InChi [?]:
InChI=1/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,16,9,15,4,3,19,7,17,18,10,14,6,11,13,5,2,21,20,12/rA:21cCNCCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s5s12;s13;s14;s15;s5s16;s2s17;s7s18;s14;s10;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:6
ZAP Information [?]
Total:21.7121
Area:0.0
Solvation:21.7121
Coulombic:0.0
Bond Count [?]
All:25
Single:22
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:287.354
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.01
LogP (Chemaxon):1.54

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