Chemical ID: 7322654

CCCc1ccc(cc1)C(=O)COc2ccc(cc2OC)C#N
Chemical ID:
7322654
Name [?]:
3-methoxy-4-[2-oxo-2-(4-propylphenyl)-ethoxy]-benzonitrile
SMILES [?]:
CCCc1ccc(cc1)C(=O)COc2ccc(cc2OC)C#N
InChi [?]:
InChI=1/C19H19NO3/c1-3-4-14-5-8-16(9-6-14)17(21)13-23-18-10-7-15(12-20)11-19(18)22-2/h5-11H,3-4,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,3,5,9,16,6,8,15,18,22,12,4,17,7,10,14,19,23,11,20,13/E:(5,6)(8,9)/rA:23nCCCCCCCCCCOCOCCCCCCOCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s17;t22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19NO3
All Atoms:42
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.14272
Area:554.24
Solvation:-6.71327
Coulombic:-25.8174
Bond Count [?]
All:24
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:309.359
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.1
LogP (Chemaxon):3.68

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Descriptor Annotations

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