Chemical ID: 5776188

CC12CCC3C(C1CCC2(C)O)CCC4C3(Cc5conc5C4)C
Chemical ID:
5776188
Name [?]:
None
SMILES [?]:
CC12CCC3C(C1CCC2(C)O)CCC4C3(Cc5conc5C4)C
InChi [?]:
InChI=1/C21H31NO2/c1-19-11-13-12-24-22-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h12,14-17,23H,4-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:24,1,11,14,13,4,8,3,9,23,17,19,18,15,6,5,7,22,16,2,10,21,12,20/rA:24cCCCCCCCCCCCOCCCCCCCONCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s2s9;s10;s10;s6;s13;s14;s5s15;s16;s17;d18;s19;s20;s18d21;s15s22;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H31NO2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:7
ZAP Information [?]
Total:8.96778
Area:478.399
Solvation:-2.99218
Coulombic:-21.438
Bond Count [?]
All:28
Single:26
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:329.476
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.4
LogP (Chemaxon):4.19

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