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Chemical ID: 4626293

Chemical ID:

4626293

Name [?]:

1-(2-methyl-1H-indol-3-yl)-2-phenyl-ethanone oxime

SMILES [?]:

Cc1c(c2ccccc2[nH]1)C(=NO)Cc3ccccc3

InChi [?]:

InChI=1/C17H16N2O/c1-12-17(14-9-5-6-10-15(14)18-12)16(19-20)11-13-7-3-2-4-8-13/h2-10,18,20H,11H2,1H3

InChi Info:

AuxInfo=1/0/N:1,18,17,19,6,7,16,20,5,8,14,2,15,4,9,11,3,10,12,13/E:(3,4)(7,8)/rA:20nCCCCCCCCCNCNOCCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s3;w11;s12;s11;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₆N₂O
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.91008
Area:	458.204
Solvation:	-2.54502
Coulombic:	-25.5613

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	3
Chiral:	1
Rigid Segments:	3

Chemical Properties

Molecular Weight:	264.322
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.94
LogP (Chemaxon):	3.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value