Chemical ID: 7446617

CC(=C1C(=NC(=NC1=O)O)O)NCc2ccc(cc2)F
Chemical ID:
7446617
Name [?]:
5-[1-[(4-fluorophenyl)methylamino]ethylidene]-2,6-dihydroxy-pyrimidin-4-one
SMILES [?]:
CC(=C1C(=NC(=NC1=O)O)O)NCc2ccc(cc2)F
InChi [?]:
InChI=1/C13H12FN3O3/c1-7(10-11(18)16-13(20)17-12(10)19)15-6-8-2-4-9(14)5-3-8/h2-5,15H,6H2,1H3,(H2,16,17,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,15,19,16,18,13,2,14,17,3,4,8,6,20,12,5,7,11,9,10/E:(2,3)(4,5)(11,12)(16,17)(18,19)/rA:20nCCCCNCNCOOONCCCCCCCF/rB:s1;w2;s3;d4;s5;d6;s3s7;d8;s6;s4;s2;s12;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12FN3O3
All Atoms:32
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.64946
Area:450.411
Solvation:-3.61082
Coulombic:-71.4553
Bond Count [?]
All:21
Single:14
Double:7
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:277.251
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:1.1
LogP (Chemaxon):1.04

Name Annotations

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Descriptor Annotations

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