Chemical ID: 7219488

Cc1c(c(n(n1)Cn2ccc(n2)c3nc4c5cnn(c5ncn4n3)c6ccccc6)C)Cl
Chemical ID:
7219488
Name [?]:
None
SMILES [?]:
Cc1c(c(n(n1)Cn2ccc(n2)c3nc4c5cnn(c5ncn4n3)c6ccccc6)C)Cl
InChi [?]:
InChI=1/C21H17ClN10/c1-13-18(22)14(2)31(26-13)12-29-9-8-17(27-29)19-25-21-16-10-24-32(15-6-4-3-5-7-15)20(16)23-11-30(21)28-19/h3-11H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,28,27,29,26,30,10,9,17,22,7,2,4,25,16,11,3,13,20,15,32,21,18,14,6,12,24,8,23,5,19/E:(4,5)(6,7)/rA:32nCCCCNNCNCCCNCNCCCNNCNCNNCCCCCCCCl/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s10;s8d11;s11;s13;d14;s15;s16;d17;s18;d16s19;s20;d21;s15s22;d13s23;s19;s25;d26;s27;d28;d25s29;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17ClN10
All Atoms:49
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.6699
Area:669.445
Solvation:-4.06624
Coulombic:-32.155
Bond Count [?]
All:37
Single:25
Double:12
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:444.88
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.39
LogP (Chemaxon):3.82

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Descriptor Annotations

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