Chemical ID: 7678552

c1cc(cc(c1)Cl)n2c3c(c(=O)n(cn3)CC(=O)N4CCCC4)nn2
Chemical ID:
7678552
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)Cl)n2c3c(c(=O)n(cn3)CC(=O)N4CCCC4)nn2
InChi [?]:
InChI=1/C16H15ClN6O2/c17-11-4-3-5-12(8-11)23-15-14(19-20-23)16(25)22(10-18-15)9-13(24)21-6-1-2-7-21/h3-5,8,10H,1-2,6-7,9H2
InChi Info:
AuxInfo=1/0/N:21,22,1,6,2,20,23,4,16,14,5,3,17,10,9,11,7,15,24,25,19,13,8,18,12/E:(1,2)(6,7)/rA:25nCCCCCCClNCCCONCNCCONCCCCNN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;s11;s13;s9d14;s13;s16;d17;s17;s19;s20;s21;s19s22;s10;s8d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15ClN6O2
All Atoms:40
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:10.2134
Area:553.508
Solvation:-3.62429
Coulombic:-43.8499
Bond Count [?]
All:28
Single:20
Double:8
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.91
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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