Chemical ID: 6694453

CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2O
Chemical ID:
6694453
Name [?]:
17-hydroxy-13-methyl-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-one
SMILES [?]:
CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2O
InChi [?]:
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8-10,15-17,20H,2-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,8,14,7,17,18,4,3,11,12,9,6,5,15,16,19,2,10,20/rA:20cCCCCCCCCCOCCCCCCCCCO/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;s6d11;s12;s13;s5s14;s2s15;s16;s17;s2s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:4
ZAP Information [?]
Total:7.80491
Area:423.574
Solvation:-2.78445
Coulombic:-25.8198
Bond Count [?]
All:23
Single:19
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:270.366
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.88
LogP (Chemaxon):2.53

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Descriptor Annotations

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