Chemical ID: 7327768

CCc1ccc(cc1)NC(=O)c2cccc(c2)C#N
Chemical ID:
7327768
Name [?]:
3-cyano-N-(4-ethylphenyl)-benzamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)c2cccc(c2)C#N
InChi [?]:
InChI=1/C16H14N2O/c1-2-12-6-8-15(9-7-12)18-16(19)14-5-3-4-13(10-14)11-17/h3-10H,2H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,14,15,13,4,8,5,7,17,18,3,16,12,6,10,19,9,11/E:(6,7)(8,9)/rA:19nCCCCCCCCNCOCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N2O
All Atoms:33
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.46904
Area:467.334
Solvation:-2.2143
Coulombic:-26.4167
Bond Count [?]
All:20
Single:12
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:250.295
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.62
LogP (Chemaxon):3.78

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Descriptor Annotations

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