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Chemical ID: 4797834
Chemical ID:
4797834
Name [?]:
None
SMILES [?]:
c1cc(ccc1C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCO)F)F
InChi [?]:
InChI=1/C20H15F2NO4/c21-12-4-2-11(3-5-12)17-16-18(25)14-10-13(22)6-7-15(14)27-19(16)20(26)23(17)8-1-9-24/h2-7,10,17,24H,1,8-9H2
InChi Info:
AuxInfo=1/0/N:23,1,5,2,4,14,15,22,24,12,6,3,13,11,16,8,7,9,18,19,27,26,21,25,10,20,17/E:(2,3)(4,5)/rA:27cCCCCCCCCCOCCCCCCOCCONCCCOFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d8s17;s18;d19;s7s19;s21;s22;s23;s24;s13;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15F2NO4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.43352 |
Area: | 545.78 |
Solvation: | -6.21097 |
Coulombic: | -57.4809 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 371.334 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.39 |
LogP (Chemaxon): | 2.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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