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Chemical ID: 7105277
Chemical ID:
7105277
Name [?]:
2-[(2-chlorophenyl)methylamino]-1-phenyl-ethanol
SMILES [?]:
c1ccc(cc1)C(CNCc2ccccc2Cl)O
InChi [?]:
InChI=1/C15H16ClNO/c16-14-9-5-4-8-13(14)10-17-11-15(18)12-6-2-1-3-7-12/h1-9,15,17-18H,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,14,3,5,12,15,10,8,4,11,16,7,17,9,18/E:(2,3)(6,7)/rA:18cCCCCCCCCNCCCCCCCClO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s7;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16ClNO |
All Atoms: | 34 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.68764 |
Area: | 462.909 |
Solvation: | -2.88508 |
Coulombic: | -28.8672 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 261.746 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.26 |
LogP (Chemaxon): | 3.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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