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Chemical ID: 7419732
Chemical ID:
7419732
Name [?]:
None
SMILES [?]:
Cc1cn2c3c(nc2o1)n(c(=O)n(c3=O)Cc4ccc(cc4Cl)Cl)C
InChi [?]:
InChI=1/C16H12Cl2N4O3/c1-8-6-21-12-13(19-15(21)25-8)20(2)16(24)22(14(12)23)7-9-3-4-10(17)5-11(9)18/h3-6H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,18,19,21,3,16,2,17,20,22,5,6,14,8,11,24,23,7,10,4,13,15,12,9/rA:25nCCCNCCNCONCONCOCCCCCCCClClC/rB:s1;d2;s3;s4;d5;s6;s4d7;s2s8;s6;s10;d11;s11;s5s13;d14;s13;s16;s17;d18;s19;d20;d17s21;s22;s20;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12Cl2N4O3 |
All Atoms: | 37 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6167 |
Area: | 528.53 |
Solvation: | -2.59652 |
Coulombic: | -57.5184 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 379.197 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.17 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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