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Chemical ID: 5169759
Chemical ID:
5169759
Name [?]:
N-(2-pyridylmethyl)undec-10-enamide
SMILES [?]:
C=CCCCCCCCCC(=O)NCc1ccccn1
InChi [?]:
InChI=1/C17H26N2O/c1-2-3-4-5-6-7-8-9-13-17(20)19-15-16-12-10-11-14-18-16/h2,10-12,14H,1,3-9,13,15H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,7,8,9,17,18,16,10,19,14,15,11,20,13,12/rA:20nCCCCCCCCCCCONCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26N2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4549 |
Area: | 555.382 |
Solvation: | -2.42965 |
Coulombic: | -28.6065 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 274.401 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.7 |
LogP (Chemaxon): | 3.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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