Chemical ID: 7729415

COCCNC(=O)Cn1cnc2c(c1=O)nnn2c3ccc(cc3)Cl
Chemical ID:
7729415
Name [?]:
None
SMILES [?]:
COCCNC(=O)Cn1cnc2c(c1=O)nnn2c3ccc(cc3)Cl
InChi [?]:
InChI=1/C15H15ClN6O3/c1-25-7-6-17-12(23)8-21-9-18-14-13(15(21)24)19-20-22(14)11-4-2-10(16)3-5-11/h2-5,9H,6-8H2,1H3,(H,17,23)
InChi Info:
AuxInfo=1/1/N:1,21,23,20,24,4,3,8,10,22,19,6,13,12,14,25,5,11,16,17,9,18,7,15,2/E:(2,3)(4,5)/rA:25nCOCCNCOCNCNCCCONNNCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;s9s13;d14;s13;d16;s12s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15ClN6O3
All Atoms:40
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:9.10979
Area:576.395
Solvation:-5.30009
Coulombic:-55.7203
Bond Count [?]
All:27
Single:19
Double:8
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.07
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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