Chemical ID: 4587883

c1ccc(cc1)C2NC(=Nc3n2c4ccccc4n3)N
Chemical ID:
4587883
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2NC(=Nc3n2c4ccccc4n3)N
InChi [?]:
InChI=1/C15H13N5/c16-14-18-13(10-6-2-1-3-7-10)20-12-9-5-4-8-11(12)17-15(20)19-14/h1-9,13H,(H3,16,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,15,3,5,17,14,4,18,13,7,9,11,20,19,8,10,12/E:(2,3)(6,7)/rA:20cCCCCCCCNCNCNCCCCCCNN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;s7s11;s12;s13;d14;s15;d16;d13s17;d11s18;s9;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13N5
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.62477
Area:422.409
Solvation:-1.93546
Coulombic:-50.0025
Bond Count [?]
All:23
Single:15
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:263.297
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:2.58
LogP (Chemaxon):4.57

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Descriptor Annotations

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