Chemical ID: 5612454

c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
Chemical ID:
5612454
Name [?]:
None
SMILES [?]:
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
InChi [?]:
InChI=1/C20H15N5/c1-2-6-14(7-3-1)12-25-13-21-20(24-25)23-19-16-10-4-8-15-9-5-11-17(22-19)18(15)16/h1-11,13H,12H2,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,24,18,3,5,25,19,23,17,7,9,4,20,22,16,21,14,11,10,15,13,12,8/E:(2,3)(6,7)/rA:25nCCCCCCCNCNCNNCNCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;s8d11;s11;s13;d14;s15;s16;d17;s18;d19;d16s20;s14s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15N5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.255
Area:531.291
Solvation:-3.02729
Coulombic:-31.3238
Bond Count [?]
All:29
Single:18
Double:11
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:325.367
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.07
LogP (Chemaxon):4.5

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Descriptor Annotations

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