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Chemical ID: 7297668
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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