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Chemical ID: 7512708
Chemical ID:
7512708
Name [?]:
3-chloro-4-fluoro-N-(2-furylmethyl)aniline
SMILES [?]:
c1cc(oc1)CNc2ccc(c(c2)Cl)F
InChi [?]:
InChI=1/C11H9ClFNO/c12-10-6-8(3-4-11(10)13)14-7-9-2-1-5-15-9/h1-6,14H,7H2
InChi Info:
AuxInfo=1/0/N:1,2,9,10,5,13,6,8,3,12,11,14,15,7,4/rA:15nCCCOCCNCCCCCCClF/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;d9;s10;d11;d8s12;s12;s11;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9ClFNO |
All Atoms: | 24 |
Heavy Atoms: | 15 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.78498 |
Area: | 394.955 |
Solvation: | -3.08889 |
Coulombic: | -22.7391 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.86 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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