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Chemical ID: 5753132
Chemical ID:
5753132
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C18H15FN2O/c19-13-7-5-12(6-8-13)18(22)21-10-9-15-14-3-1-2-4-16(14)20-17(15)11-21/h1-8,20H,9-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,17,21,18,20,13,12,10,16,19,5,7,4,8,14,22,9,11,15/E:(5,6)(7,8)/rA:22nCCCCCCCCNCNCCCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;s11;d14;s14;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15FN2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.5401 |
Area: | 465.203 |
Solvation: | -3.08998 |
Coulombic: | -33.0151 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 294.323 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.37 |
LogP (Chemaxon): | 3.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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