Chemical ID: 7678605

Cc1ccccc1NC(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)Cl
Chemical ID:
7678605
Name [?]:
None
SMILES [?]:
Cc1ccccc1NC(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)Cl
InChi [?]:
InChI=1/C19H15ClN6O2/c1-12-5-2-3-8-15(12)22-16(27)10-25-11-21-18-17(19(25)28)23-24-26(18)14-7-4-6-13(20)9-14/h2-9,11H,10H2,1H3,(H,22,27)
InChi Info:
AuxInfo=1/1/N:1,4,5,24,3,25,23,6,27,11,13,2,26,22,7,9,16,15,17,28,14,8,19,20,12,21,10,18/rA:28nCCCCCCCNCOCNCNCCCONNNCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;s12s16;d17;s16;d19;s15s20;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15ClN6O2
All Atoms:43
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:11.1506
Area:599.978
Solvation:-3.84886
Coulombic:-48.9048
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.05
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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