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Chemical ID: 6336044
Chemical ID:
6336044
Name [?]:
2-phenyl-N-(3-pyridylmethyl)acetamide
SMILES [?]:
c1ccc(cc1)CC(=O)NCc2cccnc2
InChi [?]:
InChI=1/C14H14N2O/c17-14(9-12-5-2-1-3-6-12)16-11-13-7-4-8-15-10-13/h1-8,10H,9,11H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,3,5,13,15,7,17,11,4,12,8,16,10,9/E:(2,3)(5,6)/rA:17nCCCCCCCCONCCCCCNC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14N2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.82781 |
Area: | 432.082 |
Solvation: | -2.97423 |
Coulombic: | -26.1134 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 226.274 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.7 |
LogP (Chemaxon): | 1.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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