Chemical ID: 7730230

Cc1ccc(cc1n2c3c(cn2)c(ncn3)NCc4cccnc4)Cl
Chemical ID:
7730230
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1n2c3c(cn2)c(ncn3)NCc4cccnc4)Cl
InChi [?]:
InChI=1/C18H15ClN6/c1-12-4-5-14(19)7-16(12)25-18-15(10-24-25)17(22-11-23-18)21-9-13-3-2-6-20-8-13/h2-8,10-11H,9H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,21,20,3,4,22,6,24,18,11,15,2,19,5,10,7,13,9,25,23,17,14,16,12,8/rA:25nCCCCCCCNCCCNCNCNNCCCCCNCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s8d11;d10;s13;d14;d9s15;s13;s17;s18;s19;d20;s21;d22;d19s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN6
All Atoms:40
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:11.0393
Area:558.374
Solvation:-2.92006
Coulombic:-32.9626
Bond Count [?]
All:28
Single:18
Double:10
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.63
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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