Chemical ID: 7252760

c1cc(cc(c1)OCC(=O)NC2CCCCC2)C#N
Chemical ID:
7252760
Name [?]:
2-(3-cyanophenoxy)-N-cyclohexyl-acetamide
SMILES [?]:
c1cc(cc(c1)OCC(=O)NC2CCCCC2)C#N
InChi [?]:
InChI=1/C15H18N2O2/c16-10-12-5-4-8-14(9-12)19-11-15(18)17-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,11H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:15,14,16,1,2,13,17,6,4,18,8,3,12,5,9,19,11,10,7/E:(2,3)(6,7)/rA:19nCCCCCCOCCONCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s3;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N2O2
All Atoms:37
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.9031
Area:478.918
Solvation:-4.06985
Coulombic:-32.1728
Bond Count [?]
All:20
Single:15
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:258.316
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.66
LogP (Chemaxon):2.12

Name Annotations

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Descriptor Annotations

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