Chemical ID: 4123650

c1cc(oc1)CNCc2ccc(cc2)Cl
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

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Descriptor Annotations

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