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Chemical ID: 4909268
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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