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Chemical ID: 6580070
Chemical ID:
6580070
Name [?]:
N-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)methanimine
SMILES [?]:
c1cc([nH]c1)C=Nc2ccc(cc2)F
InChi [?]:
InChI=1/C11H9FN2/c12-9-3-5-10(6-4-9)14-8-11-2-1-7-13-11/h1-8,13H
InChi Info:
AuxInfo=1/0/N:1,2,10,12,9,13,5,6,11,8,3,14,4,7/E:(3,4)(5,6)/rA:14nCCCNCCNCCCCCCF/rB:s1;d2;s3;d1s4;s3;w6;s7;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9FN2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.08883 |
Area: | 333.517 |
Solvation: | -2.2491 |
Coulombic: | -20.1229 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 188.201 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.35 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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