Chemical ID: 4765402

c1cc(c(cc1F)c2c(nc3n(c2=O)CCCC3)O)F
Chemical ID:
4765402
Name [?]:
8-(2,5-difluorophenyl)-9-hydroxy-6,10-diazabicyclo[4.4.0]deca-8,10-dien-7-one
SMILES [?]:
c1cc(c(cc1F)c2c(nc3n(c2=O)CCCC3)O)F
InChi [?]:
InChI=1/C14H12F2N2O2/c15-8-4-5-10(16)9(7-8)12-13(19)17-11-3-1-2-6-18(11)14(12)20/h4-5,7,19H,1-3,6H2
InChi Info:
AuxInfo=1/0/N:17,16,18,1,2,15,5,6,4,3,11,8,9,13,7,20,10,12,19,14/rA:20nCCCCCCFCCNCNCOCCCCOF/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s9;d10;s11;s8s12;d13;s12;s15;s16;s11s17;s9;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12F2N2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.86704
Area:419.243
Solvation:-3.61405
Coulombic:-45.065
Bond Count [?]
All:22
Single:16
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:278.254
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.0
LogP (Chemaxon):2.69

Name Annotations

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Descriptor Annotations

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