Chemical ID: 7678776

CCOC(=O)C(C)n1cnc2c(c1=O)nnn2c3cccc(c3)Cl
Chemical ID:
7678776
Name [?]:
None
SMILES [?]:
CCOC(=O)C(C)n1cnc2c(c1=O)nnn2c3cccc(c3)Cl
InChi [?]:
InChI=1/C15H14ClN5O3/c1-3-24-15(23)9(2)20-8-17-13-12(14(20)22)18-19-21(13)11-6-4-5-10(16)7-11/h4-9H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,20,21,19,23,9,6,22,18,12,11,13,4,24,10,15,16,8,17,14,5,3/rA:24cCCOCOCCNCNCCCONNNCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s6;s8;d9;s10;d11;s8s12;d13;s12;d15;s11s16;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14ClN5O3
All Atoms:38
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:10.8624
Area:548.284
Solvation:-2.84471
Coulombic:-47.8715
Bond Count [?]
All:26
Single:18
Double:8
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.74
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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