Chemical ID: 5122451

CC12CCCC(C1CCc3c2cc(cc3)OC)C#N
Chemical ID:
5122451
Name [?]:
6-methoxy-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carbonitrile
SMILES [?]:
CC12CCCC(C1CCc3c2cc(cc3)OC)C#N
InChi [?]:
InChI=1/C17H21NO/c1-17-9-3-4-13(11-18)15(17)8-6-12-5-7-14(19-2)10-16(12)17/h5,7,10,13,15H,3-4,6,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,4,5,15,9,14,8,3,12,18,10,6,13,7,11,2,19,16/rA:19cCCCCCCCCCCCCCCCOCCN/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s2s10;d11;s12;d13;d10s14;s13;s16;s6;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:3
ZAP Information [?]
Total:8.17854
Area:429.587
Solvation:-2.56113
Coulombic:-11.6659
Bond Count [?]
All:21
Single:17
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:255.355
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.15
LogP (Chemaxon):4.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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