Chemical ID: 3968945

CN1C2CCC1CC(C2)OC(=O)c3c[nH]c4c3cccc4
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

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Descriptor Annotations

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