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Chemical ID: 7396778
Chemical ID:
7396778
Name [?]:
None
SMILES [?]:
CCCn1c(=O)c2c(nc3n2CCN3c4cccc(c4C)Cl)n(c1=O)C
InChi [?]:
InChI=1/C18H20ClN5O2/c1-4-8-24-16(25)14-15(21(3)18(24)26)20-17-22(9-10-23(14)17)13-7-5-6-12(19)11(13)2/h5-7H,4,8-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,26,2,17,18,16,3,13,12,20,19,15,7,8,5,10,24,22,9,23,14,11,4,6,25/rA:26nCCCNCOCCNCNCCNCCCCCCCClNCOC/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s7s10;s11;s12;s10s13;s14;s15;d16;s17;d18;d15s19;s20;s19;s8;s4s23;d24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20ClN5O2 |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8027 |
Area: | 562.626 |
Solvation: | -2.26291 |
Coulombic: | -56.5985 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 373.837 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.31 |
LogP (Chemaxon): | 4.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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