Chemical ID: 5042854

Cc1ccc(cc1)C(CCC#N)OC
Chemical ID:
5042854
Name [?]:
4-methoxy-4-(p-tolyl)butanenitrile
SMILES [?]:
Cc1ccc(cc1)C(CCC#N)OC
InChi [?]:
InChI=1/C12H15NO/c1-10-5-7-11(8-6-10)12(14-2)4-3-9-13/h5-8,12H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,10,9,3,7,4,6,11,2,5,8,12,13/E:(5,6)(7,8)/rA:14cCCCCCCCCCCCNOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;t11;s8;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.35607
Area:396.536
Solvation:-2.55733
Coulombic:-11.7758
Bond Count [?]
All:14
Single:10
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:189.254
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.28
LogP (Chemaxon):2.64

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Descriptor Annotations

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