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Chemical ID: 5627045

Chemical ID:

5627045

Name [?]:

5-fluoro-1-(2-pyridylmethyl)indoline-2,3-dione

SMILES [?]:

c1ccnc(c1)CN2c3ccc(cc3C(=O)C2=O)F

InChi [?]:

InChI=1/C14H9FN2O2/c15-9-4-5-12-11(7-9)13(18)14(19)17(12)8-10-3-1-2-6-16-10/h1-7H,8H2

InChi Info:

AuxInfo=1/0/N:1,2,6,11,10,3,13,7,12,5,14,9,15,17,19,4,8,16,18/rA:19nCCCNCCCNCCCCCCCOCOF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;s8s15;d17;s12;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₉FN₂O₂
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	5.95571
Area:	415.468
Solvation:	-4.431
Coulombic:	-34.113

Bond Count [?]

All:	21
Single:	13
Double:	8
Rotors:	2
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	256.232
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	1.44
LogP (Chemaxon):	1.64

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value