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Chemical ID: 5506601
Chemical ID:
5506601
Name [?]:
2-ethoxy-N-tetralin-1-yl-pyridine-3-carboxamide
SMILES [?]:
CCOc1c(cccn1)C(=O)NC2CCCc3c2cccc3
InChi [?]:
InChI=1/C18H20N2O2/c1-2-22-18-15(10-6-12-19-18)17(21)20-16-11-5-8-13-7-3-4-9-14(13)16/h3-4,6-7,9-10,12,16H,2,5,8,11H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,15,7,22,16,19,6,14,8,17,18,5,13,10,4,9,12,11,3/rA:22cCCOCCCCCNCONCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s5;d10;s10;s12;s13;s14;s15;s16;s13s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.84219 |
Area: | 492.018 |
Solvation: | -3.45827 |
Coulombic: | -36.2777 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 296.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.83 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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