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Chemical ID: 6661773
Chemical ID:
6661773
Name [?]:
3-pentylsulfanylaniline
SMILES [?]:
CCCCCSc1cccc(c1)N
InChi [?]:
InChI=1/C11H17NS/c1-2-3-4-8-13-11-7-5-6-10(12)9-11/h5-7,9H,2-4,8,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,9,10,8,5,12,11,7,13,6/rA:13nCCCCCSCCCCCCN/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17NS |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.05714 |
Area: | 400.275 |
Solvation: | -0.949732 |
Coulombic: | -19.5344 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 195.325 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.8 |
LogP (Chemaxon): | 3.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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