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Chemical ID: 7108983
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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