Chemical ID: 7428608

CCn1c(c(c2c1nc3ccccc3n2)c4[nH]c5ccccc5n4)N
Chemical ID:
7428608
Name [?]:
None
SMILES [?]:
CCn1c(c(c2c1nc3ccccc3n2)c4[nH]c5ccccc5n4)N
InChi [?]:
InChI=1/C19H16N6/c1-2-25-17(20)15(18-22-12-8-4-5-9-13(12)23-18)16-19(25)24-14-10-6-3-7-11(14)21-16/h3-10H,2,20H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,12,20,21,11,13,19,22,10,14,18,23,9,5,6,4,16,7,25,15,17,24,8,3/E:(4,5)(8,9)(12,13)(22,23)/rA:25nCCNCCCCNCCCCCCNCNCCCCCCNN/rB:s1;s2;s3;d4;s5;s3s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s5;s16;s17;s18;d19;s20;d21;d18s22;d16s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N6
All Atoms:41
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.0571
Area:518.806
Solvation:-1.91304
Coulombic:-53.4708
Bond Count [?]
All:29
Single:19
Double:10
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:328.371
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.98
LogP (Chemaxon):4.0

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Experimental Annotations

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Descriptor Annotations

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