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Chemical ID: 5272950
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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