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Chemical ID: 4765402
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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Experimental Annotations
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Descriptor Annotations
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