Chemical ID: 7678705

c1cc(cc(c1)Cl)n2c3c(c(=O)n(cn3)CC(=O)NC4CCCCC4)nn2
Chemical ID:
7678705
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)Cl)n2c3c(c(=O)n(cn3)CC(=O)NC4CCCCC4)nn2
InChi [?]:
InChI=1/C18H19ClN6O2/c19-12-5-4-8-14(9-12)25-17-16(22-23-25)18(27)24(11-20-17)10-15(26)21-13-6-2-1-3-7-13/h4-5,8-9,11,13H,1-3,6-7,10H2,(H,21,26)
InChi Info:
AuxInfo=1/1/N:23,22,24,1,6,21,25,2,4,16,14,5,20,3,17,10,9,11,7,15,19,26,27,13,8,18,12/E:(2,3)(6,7)/rA:27nCCCCCCClNCCCONCNCCONCCCCCCNN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;s11;s13;s9d14;s13;s16;d17;s17;s19;s20;s21;s22;s23;s20s24;s10;s8d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19ClN6O2
All Atoms:46
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:11.4167
Area:595.833
Solvation:-3.4791
Coulombic:-49.3772
Bond Count [?]
All:30
Single:22
Double:8
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.09
LogP (Chemaxon):None

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Descriptor Annotations

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