Chemical ID: 6529683

CCCCc1c(n(n(c1=O)c2ccccc2)c3ccccc3)[O-]
Chemical ID:
6529683
Name [?]:
4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-olate
SMILES [?]:
CCCCc1c(n(n(c1=O)c2ccccc2)c3ccccc3)[O-]
InChi [?]:
InChI=1/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,22H,2-3,14H2,1H3/p-1
InChi Info:
AuxInfo=1/1/N:1,2,3,20,14,19,21,13,15,18,22,12,16,4,17,11,5,6,9,7,8,23,10/E:(6,7)(8,9)(10,11)(12,13)/rA:23nCCCCCCNNCOCCCCCCCCCCCCO-/rB:s1;s2;s3;s4;d5;s6;s7;s5s8;d9;s8;s11;d12;s13;d14;d11s15;s7;s17;d18;s19;d20;d17s21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N2O2-
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-29.061
Area:515.509
Solvation:-41.9488
Coulombic:-4.66185
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:307.366
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.48
LogP (Chemaxon):4.58

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Descriptor Annotations

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