Chemical ID: 7234148

CC12CCC3C(C1CCC2=O)CC(C4=CC(=O)CCC34C)Br
Chemical ID:
7234148
Name [?]:
6-bromo-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
SMILES [?]:
CC12CCC3C(C1CCC2=O)CC(C4=CC(=O)CCC34C)Br
InChi [?]:
InChI=1/C19H25BrO2/c1-18-7-5-11(21)9-15(18)16(20)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16H,3-8,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:21,1,8,9,18,4,19,3,15,12,16,6,7,5,14,13,10,20,2,22,17,11/rA:22cCCCCCCCCCCOCCCCCOCCCCBr/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s2s9;d10;s6;s12;s13;d14;s15;d16;s16;s18;s5s14s19;s20;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25BrO2
All Atoms:47
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:8.41729
Area:465.567
Solvation:-3.22189
Coulombic:-15.9752
Bond Count [?]
All:25
Single:22
Double:3
Rotors:0
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.76
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