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Chemical ID: 5570725
Chemical ID:
5570725
Name [?]:
N-(3-cyanophenyl)-4-propoxy-benzamide
SMILES [?]:
CCCOc1ccc(cc1)C(=O)Nc2cccc(c2)C#N
InChi [?]:
InChI=1/C17H16N2O2/c1-2-10-21-16-8-6-14(7-9-16)17(20)19-15-5-3-4-13(11-15)12-18/h3-9,11H,2,10H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,16,17,15,7,9,6,10,3,19,20,18,8,14,5,11,21,13,12,4/E:(6,7)(8,9)/rA:21nCCCOCCCCCCCONCCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;t20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.48662 |
Area: | 511.875 |
Solvation: | -3.31026 |
Coulombic: | -33.3807 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 280.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.41 |
LogP (Chemaxon): | 3.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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