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Chemical ID: 4169537
Chemical ID:
4169537
Name [?]:
2-[4-[(4-fluorophenyl)methoxy]-6-methyl-pyrimidin-2-yl]phenol
SMILES [?]:
Cc1cc(nc(n1)c2ccccc2O)OCc3ccc(cc3)F
InChi [?]:
InChI=1/C18H15FN2O2/c1-12-10-17(23-11-13-6-8-14(19)9-7-13)21-18(20-12)15-4-2-3-5-16(15)22/h2-10,22H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,11,9,12,18,22,19,21,3,16,2,17,20,8,13,4,6,23,7,5,14,15/E:(6,7)(8,9)/rA:23nCCCCNCNCCCCCCOOCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;d8s12;s13;s4;s15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15FN2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.8638 |
Area: | 499.281 |
Solvation: | -3.61822 |
Coulombic: | -41.4706 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 310.322 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.18 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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