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Chemical ID: 3992426
Chemical ID:
3992426
Name [?]:
(1,3-diphenylpyrazol-4-yl)methanol
SMILES [?]:
c1ccc(cc1)c2c(cn(n2)c3ccccc3)CO
InChi [?]:
InChI=1/C16H14N2O/c19-12-14-11-18(15-9-5-2-6-10-15)17-16(14)13-7-3-1-4-8-13/h1-11,19H,12H2
InChi Info:
AuxInfo=1/0/N:1,15,2,6,14,16,3,5,13,17,9,18,4,8,12,7,11,10,19/E:(3,4)(5,6)(7,8)(9,10)/rA:19nCCCCCCCCCNNCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s8;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.27362 |
Area: | 445.214 |
Solvation: | -2.85672 |
Coulombic: | -24.0273 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 250.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.13 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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