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Chemical ID: 7390997
Chemical ID:
7390997
Name [?]:
None
SMILES [?]:
CCCCn1c(=O)c2c(nc3n2CCN3c4cccc(c4)Cl)n(c1=O)C
InChi [?]:
InChI=1/C18H20ClN5O2/c1-3-4-8-24-16(25)14-15(21(2)18(24)26)20-17-22(9-10-23(14)17)13-7-5-6-12(19)11-13/h5-7,11H,3-4,8-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,3,18,19,17,4,14,13,21,20,16,8,9,6,11,24,22,10,23,15,12,5,7,25/rA:26nCCCCNCOCCNCNCCNCCCCCCClNCOC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s8s11;s12;s13;s11s14;s15;s16;d17;s18;d19;d16s20;s20;s9;s5s23;d24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20ClN5O2 |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.92 |
Area: | 570.508 |
Solvation: | -2.34271 |
Coulombic: | -56.9125 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 373.837 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.65 |
LogP (Chemaxon): | 4.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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