Chemical ID: 3966604

CCc1cc2c(s1)-n3c(nnc3CN=C2c4ccccc4Cl)C
Chemical ID:
3966604
Name [?]:
None
SMILES [?]:
CCc1cc2c(s1)-n3c(nnc3CN=C2c4ccccc4Cl)C
InChi [?]:
InChI=1/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,18,19,17,20,4,13,9,3,16,5,21,12,15,6,22,14,10,11,8,7/rA:23nCCCCCCSNCNNCCNCCCCCCCClC/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;d9;s10;s8d11;s12;s13;s5d14;s15;s16;d17;s18;d19;d16s20;s21;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15ClN4S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.4732
Area:504.104
Solvation:-2.12941
Coulombic:-18.0261
Bond Count [?]
All:26
Single:18
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:342.847
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.34
LogP (Chemaxon):2.58

Name Annotations

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Descriptor Annotations

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