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Chemical ID: 7108984
Chemical ID:
7108984
Name [?]:
N-[(5-chloro-2-methoxy-phenyl)methyl]cycloheptanamine
SMILES [?]:
COc1ccc(cc1CNC2CCCCCC2)Cl
InChi [?]:
InChI=1/C15H22ClNO/c1-18-15-9-8-13(16)10-12(15)11-17-14-6-4-2-3-5-7-14/h8-10,14,17H,2-7,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,12,17,5,4,7,9,8,6,11,3,18,10,2/E:(2,3)(4,5)(6,7)/rA:18nCOCCCCCCCNCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s13;s14;s15;s11s16;s6;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22ClNO |
All Atoms: | 40 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.49315 |
Area: | 463.026 |
Solvation: | -2.08251 |
Coulombic: | -18.409 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 267.794 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.47 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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