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Chemical ID: 5326769

Chemical ID:

5326769

Name [?]:

5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

SMILES [?]:

COc1ccc2c(c1)c(c[nH]2)C3=CCNCC3

InChi [?]:

InChI=1/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3

InChi Info:

AuxInfo=1/0/N:1,4,5,13,17,14,16,8,10,12,3,7,9,6,15,11,2/rA:17nCOCCCCCCCCNCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s9;d12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₆N₂O
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	7.44737
Area:	408.97
Solvation:	-2.7769
Coulombic:	-27.0485

Bond Count [?]

All:	19
Single:	14
Double:	5
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	228.29
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	1.89
LogP (Chemaxon):	1.92

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value