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Chemical ID: 5302799
Chemical ID:
5302799
Name [?]:
2-chloro-N-(2-furylmethyl)aniline
SMILES [?]:
c1ccc(c(c1)NCc2ccco2)Cl
InChi [?]:
InChI=1/C11H10ClNO/c12-10-5-1-2-6-11(10)13-8-9-4-3-7-14-9/h1-7,13H,8H2
InChi Info:
AuxInfo=1/0/N:2,1,11,10,3,6,12,8,9,4,5,14,7,13/rA:14nCCCCCCNCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;s9s12;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10ClNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.42597 |
Area: | 385.807 |
Solvation: | -2.21921 |
Coulombic: | -20.347 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 207.656 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.7 |
LogP (Chemaxon): | 2.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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