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Chemical ID: 5817291
Chemical ID:
5817291
Name [?]:
10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-one
SMILES [?]:
CC12CCC3C(C1CC=C2)CCC4C3(CCC(=O)C4)C
InChi [?]:
InChI=1/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,9,8,12,11,16,4,10,3,15,19,13,17,6,7,5,2,14,18/rA:20cCCCCCCCCCCCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s2d9;s6;s11;s12;s5s13;s14;s15;s16;d17;s13s17;s14;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H28O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 6 |
ZAP Information [?]
Total: | 8.95046 |
Area: | 424.319 |
Solvation: | -1.65751 |
Coulombic: | -9.96074 |
Bond Count [?]
All: | 23 |
Single: | 21 |
Double: | 2 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 272.425 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.81 |
LogP (Chemaxon): | 4.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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