Chemical ID: 7297199

Cc1ccc(cc1)NC(=O)c2cccc(c2)C#N
Chemical ID:
7297199
Name [?]:
3-cyano-N-(p-tolyl)benzamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2cccc(c2)C#N
InChi [?]:
InChI=1/C15H12N2O/c1-11-5-7-14(8-6-11)17-15(18)13-4-2-3-12(9-13)10-16/h2-9H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,13,14,12,3,7,4,6,16,17,2,15,11,5,9,18,8,10/E:(5,6)(7,8)/rA:18nCCCCCCCNCOCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;t17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12N2O
All Atoms:30
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.80195
Area:442.041
Solvation:-2.24908
Coulombic:-26.062
Bond Count [?]
All:19
Single:11
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:236.269
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.15
LogP (Chemaxon):3.38

Name Annotations

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Descriptor Annotations

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