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Chemical ID: 7409580
Chemical ID:
7409580
Name [?]:
None
SMILES [?]:
Cc1cn2c3c(nc2o1)n(c(=O)n(c3=O)Cc4cccc(c4)Cl)C
InChi [?]:
InChI=1/C16H13ClN4O3/c1-9-7-20-12-13(18-15(20)24-9)19(2)16(23)21(14(12)22)8-10-4-3-5-11(17)6-10/h3-7H,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,19,18,20,22,3,16,2,17,21,5,6,14,8,11,23,7,10,4,13,15,12,9/rA:24nCCCNCCNCONCONCOCCCCCCCClC/rB:s1;d2;s3;s4;d5;s6;s4d7;s2s8;s6;s10;d11;s11;s5s13;d14;s13;s16;s17;d18;s19;d20;d17s21;s21;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13ClN4O3 |
All Atoms: | 37 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3319 |
Area: | 514.582 |
Solvation: | -2.53268 |
Coulombic: | -57.8777 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 344.752 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.55 |
LogP (Chemaxon): | 3.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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