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Chemical ID: 4931707
Chemical ID:
4931707
Name [?]:
None
SMILES [?]:
CN(C)CCn1c2ccccc2c3c1nc4cc5ccccc5cc4n3
InChi [?]:
InChI=1/C22H20N4/c1-25(2)11-12-26-20-10-6-5-9-17(20)21-22(26)24-19-14-16-8-4-3-7-15(16)13-18(19)23-21/h3-10,13-14H,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,21,20,10,9,22,19,11,8,4,5,24,17,23,18,12,25,16,7,13,14,26,15,2,6/E:(1,2)/rA:26nCNCCCNCCCCCCCCNCCCCCCCCCCN/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s6s13;d14;s15;s16;d17;s18;d19;s20;d21;s18s22;d23;d16s24;d13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20N4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6844 |
Area: | 543.755 |
Solvation: | -1.90943 |
Coulombic: | -26.5066 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 340.421 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.2 |
LogP (Chemaxon): | 5.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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