Chemical ID: 5177759

Cc1c2ccccc2c(c3c1cc(c4c3cccc4)C#N)C
Chemical ID:
5177759
Name [?]:
None
SMILES [?]:
Cc1c2ccccc2c(c3c1cc(c4c3cccc4)C#N)C
InChi [?]:
InChI=1/C21H15N/c1-13-16-7-3-4-8-17(16)14(2)21-19-10-6-5-9-18(19)15(12-22)11-20(13)21/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,5,6,18,17,4,7,19,16,12,20,2,9,13,3,8,14,15,11,10,21/rA:22nCCCCCCCCCCCCCCCCCCCCNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;d2s10;s11;d12;s13;s10s14;d15;s16;d17;d14s18;s13;t20;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15N
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.1956
Area:460.815
Solvation:-1.3248
Coulombic:-7.13202
Bond Count [?]
All:25
Single:15
Double:9
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:281.351
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.42
LogP (Chemaxon):5.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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