ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 3967386

Chemical ID:

3967386

Name [?]:

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

SMILES [?]:

CC(=O)NCCc1c[nH]c2c1cc(cc2)OC

InChi [?]:

InChI=1/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)

InChi Info:

AuxInfo=1/1/N:1,17,14,15,6,5,12,8,2,7,13,11,10,4,9,3,16/rA:17nCCONCCCCNCCCCCCOC/rB:s1;d2;s2;s4;s5;s6;d7;s8;s9;s7s10;d11;s12;d13;d10s14;s13;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₆N₂O₂
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	7.0938
Area:	433.224
Solvation:	-3.7368
Coulombic:	-37.2198

Bond Count [?]

All:	18
Single:	13
Double:	5
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	232.278
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	1.56
LogP (Chemaxon):	1.39

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