Chemical ID: 4931707

CN(C)CCn1c2ccccc2c3c1nc4cc5ccccc5cc4n3
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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