Chemical ID: 4918576

Cc1c(c(on1)C)C2=CCCCc3c2cccc3
Chemical ID:
4918576
Name [?]:
4-(6-bicyclo[5.4.0]undeca-5,7,9,11-tetraenyl)-3,5-dimethyl-isoxazole
SMILES [?]:
Cc1c(c(on1)C)C2=CCCCc3c2cccc3
InChi [?]:
InChI=1/C16H17NO/c1-11-16(12(2)18-17-11)15-10-6-4-8-13-7-3-5-9-14(13)15/h3,5,7,9-10H,4,6,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,17,11,16,10,18,12,15,9,2,4,13,14,8,3,6,5/rA:18nCCCCONCCCCCCCCCCCC/rB:s1;s2;d3;s4;d2s5;s4;s3;d8;s9;s10;s11;s12;s8s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.29361
Area:408.092
Solvation:-1.90868
Coulombic:-5.28048
Bond Count [?]
All:20
Single:14
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:239.312
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.61
LogP (Chemaxon):3.84

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