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Chemical ID: 4249146
Chemical ID:
4249146
Name [?]:
[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanol
SMILES [?]:
COc1cccc(c1)c2c(cn(n2)c3ccccc3)CO
InChi [?]:
InChI=1/C17H16N2O2/c1-21-16-9-5-6-13(10-16)17-14(12-20)11-19(18-17)15-7-3-2-4-8-15/h2-11,20H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,5,6,15,19,4,8,11,20,7,10,14,3,9,13,12,21,2/E:(3,4)(7,8)/rA:21nCOCCCCCCCCCNNCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s12;s14;d15;s16;d17;d14s18;s10;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.75863 |
Area: | 484.031 |
Solvation: | -4.34215 |
Coulombic: | -30.009 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 280.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.04 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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