Chemical ID: 7654741

c1ccc2c(c1)c(c[nH]2)CCNC(=S)N
Chemical ID:
7654741
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)CCNC(=S)N
InChi [?]:
InChI=1/C11H13N3S/c12-11(15)13-6-5-8-7-14-10-4-2-1-3-9(8)10/h1-4,7,14H,5-6H2,(H3,12,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,11,8,7,5,4,13,15,12,9,14/rA:15nCCCCCCCCNCCNCSN/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13N3S
All Atoms:28
Heavy Atoms:15
Chiral Atoms:None
ZAP Information [?]
Total:8.77891
Area:408.862
Solvation:-1.44264
Coulombic:-40.9207
Bond Count [?]
All:16
Single:11
Double:5
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.6
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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