Chemical ID: 5272950

Cc1ccc(cc1Cl)n2c3c(cn2)c4nc(nn4cn3)C(C)(C)C
Chemical ID:
5272950
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1Cl)n2c3c(cn2)c4nc(nn4cn3)C(C)(C)C
InChi [?]:
InChI=1/C17H17ClN6/c1-10-5-6-11(7-13(10)18)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:1,22,23,24,3,4,6,12,19,2,5,11,7,10,14,16,21,8,20,13,15,17,18,9/E:(2,3,4)/rA:24nCCCCCCCClNCCCNCNCNNCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;s9d12;s11;d14;s15;d16;s14s17;s18;s10d19;s16;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17ClN6
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.5153
Area:535.335
Solvation:-1.86807
Coulombic:-23.4523
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

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Experimental Annotations

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Descriptor Annotations

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