Chemical ID: 7591907

c1ccc2c(c1)CC3C[NH2+]Cc4c3c(ccc4)S2
Chemical ID:
7591907
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CC3C[NH2+]Cc4c3c(ccc4)S2
InChi [?]:
InChI=1/C16H15NS/c1-2-6-14-11(4-1)8-13-10-17-9-12-5-3-7-15(18-14)16(12)13/h1-7,13,17H,8-10H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,16,6,17,3,15,7,11,9,5,12,8,4,14,13,10,18/rA:18cCCCCCCCCCN+CCCCCCCS/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s8s12;d13;s14;d15;d12s16;s4s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16NS+
All Atoms:34
Heavy Atoms:18
Chiral Atoms:None
ZAP Information [?]
Total:-24.8752
Area:401.833
Solvation:-34.921
Coulombic:32.9525
Bond Count [?]
All:21
Single:15
Double:6
Rotors:0
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.29
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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