Chemical ID: 7108983

COc1ccc(cc1CNC2CC2)Cl
Chemical ID:
7108983
Name [?]:
N-[(5-chloro-2-methoxy-phenyl)methyl]cyclopropanamine
SMILES [?]:
COc1ccc(cc1CNC2CC2)Cl
InChi [?]:
InChI=1/C11H14ClNO/c1-14-11-5-2-9(12)6-8(11)7-13-10-3-4-10/h2,5-6,10,13H,3-4,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,12,13,4,7,9,8,6,11,3,14,10,2/E:(3,4)/rA:14nCOCCCCCCCNCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s11s12;s6;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14ClNO
All Atoms:28
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.85079
Area:400.261
Solvation:-2.15573
Coulombic:-17.1218
Bond Count [?]
All:15
Single:12
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:211.688
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.61
LogP (Chemaxon):2.23

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