Chemical ID: 4909268

Cc1cc(c(c2c1c3c([nH]2)-c4ccccc4CC3)C)CC#N
Chemical ID:
4909268
Name [?]:
None
SMILES [?]:
Cc1cc(c(c2c1c3c([nH]2)-c4ccccc4CC3)C)CC#N
InChi [?]:
InChI=1/C20H18N2/c1-12-11-15(9-10-21)13(2)19-18(12)17-8-7-14-5-3-4-6-16(14)20(17)22-19/h3-6,11,22H,7-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,14,13,15,12,17,18,20,21,3,2,5,16,4,11,8,7,6,9,22,10/rA:22nCCCCCCCCCNCCCCCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s6s9;s9;s11;d12;s13;d14;d11s15;s16;s8s17;s5;s4;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.85585
Area:479.066
Solvation:-2.1208
Coulombic:-14.9081
Bond Count [?]
All:25
Single:17
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:286.37
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.36
LogP (Chemaxon):5.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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