Chemical ID: 5271031

Cc1ccc(cc1n2c3c(cn2)c4nc(nn4cn3)C(C)(C)C)Cl
Chemical ID:
5271031
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1n2c3c(cn2)c4nc(nn4cn3)C(C)(C)C)Cl
InChi [?]:
InChI=1/C17H17ClN6/c1-10-5-6-11(18)7-13(10)24-14-12(8-20-24)15-21-16(17(2,3)4)22-23(15)9-19-14/h5-9H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,21,22,23,3,4,6,11,18,2,5,10,7,9,13,15,20,24,19,12,14,16,17,8/E:(2,3,4)/rA:24nCCCCCCCNCCCNCNCNNCNCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;s8d11;s10;d13;s14;d15;s13s16;s17;s9d18;s15;s20;s20;s20;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17ClN6
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.4249
Area:532.635
Solvation:-1.89093
Coulombic:-23.3785
Bond Count [?]
All:27
Single:19
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:340.81
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.34
LogP (Chemaxon):5.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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