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Chemical ID: 7678605
Chemical ID:
7678605
Name [?]:
None
SMILES [?]:
Cc1ccccc1NC(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)Cl
InChi [?]:
InChI=1/C19H15ClN6O2/c1-12-5-2-3-8-15(12)22-16(27)10-25-11-21-18-17(19(25)28)23-24-26(18)14-7-4-6-13(20)9-14/h2-9,11H,10H2,1H3,(H,22,27)
InChi Info:
AuxInfo=1/1/N:1,4,5,24,3,25,23,6,27,11,13,2,26,22,7,9,16,15,17,28,14,8,19,20,12,21,10,18/rA:28nCCCCCCCNCOCNCNCCCONNNCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;s12s16;d17;s16;d19;s15s20;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15ClN6O2 |
All Atoms: | 43 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.1506 |
Area: | 599.978 |
Solvation: | -3.84886 |
Coulombic: | -48.9048 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.05 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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