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Chemical ID: 7730230
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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