Chemical ID: 4780084

c1cc2c(cc1Cl)-c3c(c[nH]n3)CS2
Chemical ID:
4780084
Name [?]:
None
SMILES [?]:
c1cc2c(cc1Cl)-c3c(c[nH]n3)CS2
InChi [?]:
InChI=1/C10H7ClN2S/c11-7-1-2-9-8(3-7)10-6(5-14-9)4-12-13-10/h1-4H,5H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,5,10,13,9,6,4,3,8,7,11,12,14/rA:14nCCCCCCClCCCNNCS/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s10;d8s11;s9;s3s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7ClN2S
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.51289
Area:366.638
Solvation:-1.65306
Coulombic:-11.0698
Bond Count [?]
All:16
Single:11
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:222.695
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.36
LogP (Chemaxon):3.25

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Descriptor Annotations

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