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Chemical ID: 7293496
Chemical ID:
7293496
Name [?]:
3-cyano-N-(2,5-dimethylphenyl)-benzamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)c2cccc(c2)C#N)C
InChi [?]:
InChI=1/C16H14N2O/c1-11-6-7-12(2)15(8-11)18-16(19)14-5-3-4-13(9-14)10-17/h3-9H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,13,14,12,3,4,7,16,17,2,5,15,11,6,9,18,8,10/rA:19nCCCCCCCNCOCCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;t17;s5;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N2O |
All Atoms: | 33 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.29945 |
Area: | 459.22 |
Solvation: | -2.18105 |
Coulombic: | -26.0398 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 250.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.38 |
LogP (Chemaxon): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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