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Chemical ID: 4203309
Chemical ID:
4203309
Name [?]:
3-azepan-1-yl-N-(p-tolyl)propanamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CCN2CCCCCC2
InChi [?]:
InChI=1/C16H24N2O/c1-14-6-8-15(9-7-14)17-16(19)10-13-18-11-4-2-3-5-12-18/h6-9H,2-5,10-13H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,16,17,15,18,3,7,4,6,11,14,19,12,2,5,9,8,13,10/E:(2,3)(4,5)(6,7)(8,9)(11,12)/rA:19nCCCCCCCNCOCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s14;s15;s16;s17;s13s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.38942 |
Area: | 467.721 |
Solvation: | -2.30359 |
Coulombic: | -25.6348 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 260.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.62 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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