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Chemical ID: 4173089

Chemical ID:

4173089

Name [?]:

2-amino-4-(4-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile

SMILES [?]:

c1cc(ccc1C2c3ccc(cc3OC(=C2C#N)N)O)F

InChi [?]:

InChI=1/C16H11FN2O2/c17-10-3-1-9(2-4-10)15-12-6-5-11(20)7-14(12)21-16(19)13(15)8-18/h1-7,15,20H,19H2

InChi Info:

AuxInfo=1/0/N:1,5,2,4,10,9,12,17,6,3,11,8,16,13,7,15,21,18,19,20,14/E:(1,2)(3,4)/rA:21cCCCCCCCCCCCCCOCCCNNOF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s7d15;s16;t17;s15;s11;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₁FN₂O₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	7.16395
Area:	442.245
Solvation:	-3.89218
Coulombic:	-47.7261

Bond Count [?]

All:	23
Single:	15
Double:	7
Rotors:	1
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	282.269
H-Bond Donors:	3
H-Bond Acceptors:	4
XLogP:	3.05
LogP (Chemaxon):	3.09

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