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Chemical ID: 7162001

Chemical ID:

7162001

Name [?]:

2-(3-oxoindolin-2-ylidene)-2-phenyl-acetonitrile

SMILES [?]:

c1ccc(cc1)C(=C2C(=O)c3ccccc3N2)C#N

InChi [?]:

InChI=1/C16H10N2O/c17-10-13(11-6-2-1-3-7-11)15-16(19)12-8-4-5-9-14(12)18-15/h1-9,18H

InChi Info:

AuxInfo=1/0/N:1,2,6,13,14,3,5,12,15,18,4,11,7,16,8,9,19,17,10/E:(2,3)(6,7)/rA:19nCCCCCCCCCOCCCCCCNCN/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;s7;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₀N₂O
All Atoms:	29
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	8.60602
Area:	435.783
Solvation:	-2.28856
Coulombic:	-25.969

Bond Count [?]

All:	21
Single:	12
Double:	8
Rotors:	1
Chiral:	1
Rigid Segments:	2

Chemical Properties

Molecular Weight:	246.263
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.38
LogP (Chemaxon):	3.53

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value