Chemical ID: 7221192

Cc1c(c(n(n1)Cc2ccc(cc2)c3nc4c5ccccc5ncn4n3)C)Cl
Chemical ID:
7221192
Name [?]:
None
SMILES [?]:
Cc1c(c(n(n1)Cc2ccc(cc2)c3nc4c5ccccc5ncn4n3)C)Cl
InChi [?]:
InChI=1/C21H17ClN6/c1-13-19(22)14(2)27(25-13)11-15-7-9-16(10-8-15)20-24-21-17-5-3-4-6-18(17)23-12-28(21)26-20/h3-10,12H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,19,20,18,21,9,13,10,12,7,24,2,4,8,11,17,22,3,14,16,28,23,15,6,26,5,25/E:(7,8)(9,10)/rA:28nCCCCNNCCCCCCCCNCCCCCCCNCNNCCl/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s16;s17;d18;s19;d20;d17s21;s22;d23;s16s24;d14s25;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17ClN6
All Atoms:45
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.4952
Area:600.057
Solvation:-2.50624
Coulombic:-24.3215
Bond Count [?]
All:32
Single:21
Double:11
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:388.853
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.43
LogP (Chemaxon):4.3

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Descriptor Annotations

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