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Chemical ID: 7746183
Chemical ID:
7746183
Name [?]:
None
SMILES [?]:
CC(=O)N1C(CC(=N1)c2ccccc2O)c3ccc(cc3)F
InChi [?]:
InChI=1/C17H15FN2O2/c1-11(21)20-16(12-6-8-13(18)9-7-12)10-15(19-20)14-4-2-3-5-17(14)22/h2-9,16,22H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,10,13,17,21,18,20,6,2,16,19,9,7,5,14,22,8,4,3,15/E:(6,7)(8,9)/rA:22cCCONCCCNCCCCCCOCCCCCCF/rB:s1;d2;s2;s4;s5;s6;s4d7;s7;s9;d10;s11;d12;d9s13;s14;s5;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15FN2O2 |
All Atoms: | 37 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.56894 |
Area: | 475.368 |
Solvation: | -4.31526 |
Coulombic: | -34.695 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.5 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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