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Chemical ID: 7245444
Chemical ID:
7245444
Name [?]:
N-(benzothiazol-2-ylmethyl)methanamine
SMILES [?]:
CNCc1nc2ccccc2s1
InChi [?]:
InChI=1/C9H10N2S/c1-10-6-9-11-7-4-2-3-5-8(7)12-9/h2-5,10H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,7,10,3,6,11,4,2,5,12/rA:12nCNCCNCCCCCCS/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s4s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10N2S |
All Atoms: | 22 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.1793 |
Area: | 343.558 |
Solvation: | -1.40965 |
Coulombic: | -15.6336 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 178.255 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.08 |
LogP (Chemaxon): | 1.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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