Chemical ID: 7297668

CC(=O)c1ccccc1NC(=O)c2ccc(cc2)C#N
Chemical ID:
7297668
Name [?]:
N-(2-acetylphenyl)-4-cyano-benzamide
SMILES [?]:
CC(=O)c1ccccc1NC(=O)c2ccc(cc2)C#N
InChi [?]:
InChI=1/C16H12N2O2/c1-11(19)14-4-2-3-5-15(14)18-16(20)13-8-6-12(10-17)7-9-13/h2-9H,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,6,7,5,8,15,17,14,18,19,2,16,13,4,9,11,20,10,3,12/E:(6,7)(8,9)/rA:20nCCOCCCCCCNCOCCCCCCCN/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N2O2
All Atoms:32
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.69344
Area:464.204
Solvation:-2.91165
Coulombic:-33.4759
Bond Count [?]
All:21
Single:12
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:264.279
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.99
LogP (Chemaxon):2.88

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Descriptor Annotations

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