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Chemical ID: 5449538
Chemical ID:
5449538
Name [?]:
2-anilino-N-(2-cyanophenyl)-acetamide
SMILES [?]:
c1ccc(cc1)NCC(=O)Nc2ccccc2C#N
InChi [?]:
InChI=1/C15H13N3O/c16-10-12-6-4-5-9-14(12)18-15(19)11-17-13-7-2-1-3-8-13/h1-9,17H,11H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,14,16,3,5,13,18,8,17,4,12,9,19,7,11,10/E:(2,3)(7,8)/rA:19nCCCCCCNCCONCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;t18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13N3O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.00175 |
Area: | 464.597 |
Solvation: | -2.61317 |
Coulombic: | -37.4522 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 251.283 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.56 |
LogP (Chemaxon): | 2.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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