Chemical ID: 7107983

c1ccc(cc1)CNCc2cccc(c2)Cl
Chemical ID:
7107983
Name [?]:
N-[(3-chlorophenyl)methyl]-1-phenyl-methanamine
SMILES [?]:
c1ccc(cc1)CNCc2cccc(c2)Cl
InChi [?]:
InChI=1/C14H14ClN/c15-14-8-4-7-13(9-14)11-16-10-12-5-2-1-3-6-12/h1-9,16H,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,3,5,11,13,15,7,9,4,10,14,16,8/E:(2,3)(5,6)/rA:16nCCCCCCCNCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14ClN
All Atoms:30
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.52683
Area:437.854
Solvation:-1.41951
Coulombic:-12.468
Bond Count [?]
All:17
Single:11
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:231.72
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.87
LogP (Chemaxon):3.87

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Descriptor Annotations

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