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Chemical ID: 4794396
Chemical ID:
4794396
Name [?]:
None
SMILES [?]:
CN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccccc4F
InChi [?]:
InChI=1/C18H12FNO3/c1-20-15(10-6-2-4-8-12(10)19)14-16(21)11-7-3-5-9-13(11)23-17(14)18(20)22/h2-9,15H,1H3
InChi Info:
AuxInfo=1/0/N:1,19,9,20,10,18,8,21,11,17,7,22,12,4,3,5,14,15,23,2,6,16,13/rA:23cCNCCCOCCCCCCOCCOCCCCCCF/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;d4s13;s2s14;d15;s3;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12FNO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.67211 |
Area: | 460.933 |
Solvation: | -3.85121 |
Coulombic: | -39.1665 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 309.291 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.58 |
LogP (Chemaxon): | 2.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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