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Chemical ID: 4702692
Chemical ID:
4702692
Name [?]:
1-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-one
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)CCn3ccc(=O)c4c3CCCC4
InChi [?]:
InChI=1/C19H20N2O/c22-19-10-12-21(18-8-4-2-6-16(18)19)11-9-14-13-20-17-7-3-1-5-15(14)17/h1,3,5,7,10,12-13,20H,2,4,6,8-9,11H2
InChi Info:
AuxInfo=1/0/N:1,21,2,20,6,22,3,19,10,14,11,13,8,7,5,17,4,18,15,9,12,16/rA:22nCCCCCCCCNCCNCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;s12;d13;s14;d15;s15;s12d17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.61884 |
Area: | 479.756 |
Solvation: | -2.37508 |
Coulombic: | -25.8088 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 292.375 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.43 |
LogP (Chemaxon): | 4.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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