Chemical ID: 4660451

CCOC(=O)c1cn2c3c(c1=O)cc(c(c3OCC2C)F)F
Chemical ID:
4660451
Name [?]:
None
SMILES [?]:
CCOC(=O)c1cn2c3c(c1=O)cc(c(c3OCC2C)F)F
InChi [?]:
InChI=1/C15H13F2NO4/c1-3-21-15(20)9-5-18-7(2)6-22-14-11(17)10(16)4-8(12(14)18)13(9)19/h4-5,7H,3,6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,13,7,18,19,10,6,14,15,9,11,16,4,22,21,8,12,5,3,17/rA:22cCCOCOCCNCCCOCCCCOCCCFF/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s6s10;d11;d10;s13;d14;d9s15;s16;s17;s8s18;s19;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13F2NO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:5.73269
Area:455.964
Solvation:-5.66641
Coulombic:-47.0025
Bond Count [?]
All:24
Single:18
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:309.265
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.86
LogP (Chemaxon):2.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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