Chemical ID: 5274145

CC(C)(C)c1nc2c3cnn(c3ncn2n1)c4cccc(c4)Cl
Chemical ID:
5274145
Name [?]:
None
SMILES [?]:
CC(C)(C)c1nc2c3cnn(c3ncn2n1)c4cccc(c4)Cl
InChi [?]:
InChI=1/C16H15ClN6/c1-16(2,3)15-20-14-12-8-19-23(11-6-4-5-10(17)7-11)13(12)18-9-22(14)21-15/h4-9H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,19,20,18,22,9,14,21,17,8,12,7,5,2,23,13,10,6,16,15,11/E:(1,2,3)/rA:23nCCCCCNCCCNNCNCNNCCCCCCCl/rB:s1;s2;s2;s2;s5;d6;s7;s8;d9;s10;d8s11;s12;d13;s7s14;d5s15;s11;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15ClN6
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.0588
Area:518.359
Solvation:-1.90016
Coulombic:-23.5485
Bond Count [?]
All:26
Single:18
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:326.783
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.11
LogP (Chemaxon):5.19

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Descriptor Annotations

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