Chemical ID: 4911816

Cc1cn2c(n1)Nc3c(c4c(s3)CCCC4)C2
Chemical ID:
4911816
Name [?]:
None
SMILES [?]:
Cc1cn2c(n1)Nc3c(c4c(s3)CCCC4)C2
InChi [?]:
InChI=1/C13H15N3S/c1-8-6-16-7-10-9-4-2-3-5-11(9)17-12(10)15-13(16)14-8/h6H,2-5,7H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,3,17,2,10,9,11,8,5,6,7,4,12/rA:17nCCCNCNNCCCCSCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s9;d10;s8s11;s11;s13;s14;s10s15;s4s9;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15N3S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.32668
Area:401.643
Solvation:-1.71438
Coulombic:-23.1588
Bond Count [?]
All:20
Single:16
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:245.344
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.31
LogP (Chemaxon):2.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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