Chemical ID: 6590201

c1ccc(cc1)c2csc3c2c4nnc(n4cn3)c5ccccc5
Chemical ID:
6590201
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2csc3c2c4nnc(n4cn3)c5ccccc5
InChi [?]:
InChI=1/C19H12N4S/c1-3-7-13(8-4-1)15-11-24-19-16(15)18-22-21-17(23(18)12-20-19)14-9-5-2-6-10-14/h1-12H
InChi Info:
AuxInfo=1/0/N:1,22,2,6,21,23,3,5,20,24,8,17,4,19,7,11,15,12,10,18,14,13,16,9/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCCCCCCCSCCCNNCNCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s11;d12;s13;d14;s12s15;s16;s10d17;s15;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H12N4S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.7368
Area:502.472
Solvation:-1.82501
Coulombic:-20.0583
Bond Count [?]
All:28
Single:17
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:328.392
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.74
LogP (Chemaxon):4.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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