Chemical ID: 4702692

c1ccc2c(c1)c(c[nH]2)CCn3ccc(=O)c4c3CCCC4
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

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Descriptor Annotations

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