Chemical ID: 4905499

Cc1cc(cc(c1OCC=C)C)C#N
Chemical ID:
4905499
Name [?]:
4-allyloxy-3,5-dimethyl-benzonitrile
SMILES [?]:
Cc1cc(cc(c1OCC=C)C)C#N
InChi [?]:
InChI=1/C12H13NO/c1-4-5-14-12-9(2)6-11(8-13)7-10(12)3/h4,6-7H,1,5H2,2-3H3
InChi Info:
AuxInfo=1/0/N:11,1,12,10,9,3,5,13,2,6,4,7,14,8/E:(2,3)(6,7)(9,10)/rA:14nCCCCCCCOCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s6;s4;t13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13NO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.68153
Area:385.296
Solvation:-1.95086
Coulombic:-13.2992
Bond Count [?]
All:14
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:187.238
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.73
LogP (Chemaxon):3.28

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Descriptor Annotations

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