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Chemical ID: 7234148
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
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Experimental Annotations
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Descriptor Annotations
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