Chemical ID: 4350365

c1ccc(cc1)Cn2cc(c3c2cccc3)C#N
Chemical ID:
4350365
Name [?]:
1-benzylindole-3-carbonitrile
SMILES [?]:
c1ccc(cc1)Cn2cc(c3c2cccc3)C#N
InChi [?]:
InChI=1/C16H12N2/c17-10-14-12-18(11-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-9,12H,11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,15,14,3,5,16,13,17,7,9,4,10,11,12,18,8/E:(2,3)(6,7)/rA:18nCCCCCCCNCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;s8s11;d12;s13;d14;d11s15;s10;t17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.00355
Area:426.018
Solvation:-1.64689
Coulombic:-12.2503
Bond Count [?]
All:20
Single:12
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:232.28
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.83
LogP (Chemaxon):4.29

Name Annotations

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Descriptor Annotations

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