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Chemical ID: 5765661

Chemical ID:

5765661

Name [?]:

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

SMILES [?]:

c1ccc2c(c1)c(c[nH]2)CCNC(=O)CF

InChi [?]:

InChI=1/C12H13FN2O/c13-7-12(16)14-6-5-9-8-15-11-4-2-1-3-10(9)11/h1-4,8,15H,5-7H2,(H,14,16)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,10,11,15,8,7,5,4,13,16,12,9,14/rA:16nCCCCCCCCNCCNCOCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;s12;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₃FN₂O
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	5.60589
Area:	404.247
Solvation:	-4.50029
Coulombic:	-35.0893

Bond Count [?]

All:	17
Single:	12
Double:	5
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	220.243
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	1.75
LogP (Chemaxon):	1.69

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