Chemical ID: 4682403

Cc1c(c-2c(cn1)CCc3c2cccc3)C#N
Chemical ID:
4682403
Name [?]:
None
SMILES [?]:
Cc1c(c-2c(cn1)CCc3c2cccc3)C#N
InChi [?]:
InChI=1/C15H12N2/c1-10-14(8-16)15-12(9-17-10)7-6-11-4-2-3-5-13(11)15/h2-5,9H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,9,8,16,6,2,10,5,11,3,4,17,7/rA:17nCCCCCCNCCCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s4s10;d11;s12;d13;d10s14;s3;t16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12N2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.09398
Area:379.198
Solvation:-1.38597
Coulombic:-9.38222
Bond Count [?]
All:19
Single:12
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:220.269
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.86
LogP (Chemaxon):2.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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