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Chemical ID: 4123650
Chemical ID:
4123650
Name [?]:
N-[(4-chlorophenyl)methyl]-1-(2-furyl)methanamine
SMILES [?]:
c1cc(oc1)CNCc2ccc(cc2)Cl
InChi [?]:
InChI=1/C12H12ClNO/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h1-7,14H,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,10,14,11,13,5,8,6,9,12,3,15,7,4/E:(3,4)(5,6)/rA:15nCCCOCCNCCCCCCCCl/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12ClNO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.77669 |
Area: | 418.307 |
Solvation: | -2.68098 |
Coulombic: | -16.9186 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 221.683 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.56 |
LogP (Chemaxon): | 2.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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