Chemical ID: 7221513

Cc1c(c(n(n1)CCc2nc3c4ccccc4ncn3n2)C)Cl
Chemical ID:
7221513
Name [?]:
None
SMILES [?]:
Cc1c(c(n(n1)CCc2nc3c4ccccc4ncn3n2)C)Cl
InChi [?]:
InChI=1/C16H15ClN6/c1-10-15(17)11(2)22(20-10)8-7-14-19-16-12-5-3-4-6-13(12)18-9-23(16)21-14/h3-6,9H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,14,15,13,16,8,7,19,2,4,12,17,9,3,11,23,18,10,6,21,5,20/rA:23nCCCCNNCCCNCCCCCCCNCNNCCl/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;s17;d18;s11s19;d9s20;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15ClN6
All Atoms:38
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.9454
Area:527.775
Solvation:-2.24901
Coulombic:-21.6006
Bond Count [?]
All:26
Single:18
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:326.783
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.65
LogP (Chemaxon):3.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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