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Chemical ID: 3968945
Chemical ID:
3968945
Name [?]:
(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 1H-indole-3-carboxylate
SMILES [?]:
CN1C2CCC1CC(C2)OC(=O)c3c[nH]c4c3cccc4
InChi [?]:
InChI=1/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,20,18,21,4,5,9,7,14,3,6,8,17,13,16,11,15,2,12,10/E:(6,7)(8,9)(11,12)/rA:21cCNCCCCCCCOCOCCNCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;s3s8;s8;s10;d11;s11;d13;s14;s15;s13s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.78464 |
Area: | 469.352 |
Solvation: | -1.94916 |
Coulombic: | -36.8216 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 284.353 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.01 |
LogP (Chemaxon): | 2.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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