ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7243110

Chemical ID:

7243110

Name [?]:

(3-indan-5-yl-1-phenyl-pyrazol-4-yl)methanol

SMILES [?]:

c1ccc(cc1)n2cc(c(n2)c3ccc4c(c3)CCC4)CO

InChi [?]:

InChI=1/C19H18N2O/c22-13-17-12-21(18-7-2-1-3-8-18)20-19(17)16-10-9-14-5-4-6-15(14)11-16/h1-3,7-12,22H,4-6,13H2

InChi Info:

AuxInfo=1/0/N:1,2,6,19,20,18,3,5,14,13,17,8,21,15,16,12,9,4,10,11,7,22/E:(2,3)(7,8)/rA:22nCCCCCCNCCCNCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s10;s12;d13;s14;d15;d12s16;s16;s18;s15s19;s9;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₈N₂O
All Atoms:	40
Heavy Atoms:	22
Chiral Atoms:	None

ZAP Information [?]

Total:	9.49893
Area:	495.751
Solvation:	-2.89484
Coulombic:	-23.5539

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.02
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value