Chemical ID: 7678555

c1cc(cc(c1)Cl)n2c3c(c(=O)n(cn3)CC(=O)N4CCCCC4)nn2
Chemical ID:
7678555
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)Cl)n2c3c(c(=O)n(cn3)CC(=O)N4CCCCC4)nn2
InChi [?]:
InChI=1/C17H17ClN6O2/c18-12-5-4-6-13(9-12)24-16-15(20-21-24)17(26)23(11-19-16)10-14(25)22-7-2-1-3-8-22/h4-6,9,11H,1-3,7-8,10H2
InChi Info:
AuxInfo=1/0/N:22,21,23,1,6,2,20,24,4,16,14,5,3,17,10,9,11,7,15,25,26,19,13,8,18,12/E:(2,3)(7,8)/rA:26nCCCCCCClNCCCONCNCCONCCCCCNN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;s11;s13;s9d14;s13;s16;d17;s17;s19;s20;s21;s22;s19s23;s10;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17ClN6O2
All Atoms:43
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:10.6758
Area:568.475
Solvation:-3.53611
Coulombic:-44.1488
Bond Count [?]
All:29
Single:21
Double:8
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.27
LogP (Chemaxon):None

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Descriptor Annotations

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