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Chemical ID: 7244578
Chemical ID:
7244578
Name [?]:
N-cyclopropylbenzothiazol-2-amine
SMILES [?]:
c1ccc2c(c1)nc(s2)NC3CC3
InChi [?]:
InChI=1/C10H10N2S/c1-2-4-9-8(3-1)12-10(13-9)11-7-5-6-7/h1-4,7H,5-6H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,13,11,5,4,8,10,7,9/E:(5,6)/rA:13nCCCCCCNCSNCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s11s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10N2S |
All Atoms: | 23 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.98065 |
Area: | 360.414 |
Solvation: | -1.02971 |
Coulombic: | -19.5409 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 190.266 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.12 |
LogP (Chemaxon): | 3.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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