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Chemical ID: 6819049
Chemical ID:
6819049
Name [?]:
N-(m-tolyl)-5-azabicyclo[2.2.1]hept-2-ene-5-carboxamide
SMILES [?]:
Cc1cccc(c1)NC(=O)N2CC3CC2C=C3
InChi [?]:
InChI=1/C14H16N2O/c1-10-3-2-4-12(7-10)15-14(17)16-9-11-5-6-13(16)8-11/h2-7,11,13H,8-9H2,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,17,16,7,14,12,2,13,6,15,9,8,11,10/rA:17cCCCCCCCNCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s11s14;s15;s13d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2O |
All Atoms: | 33 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.43583 |
Area: | 410.552 |
Solvation: | -1.82796 |
Coulombic: | -31.4888 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 228.29 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.16 |
LogP (Chemaxon): | 2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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