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Chemical ID: 7086558
Chemical ID:
7086558
Name [?]:
3-[(3-chlorophenyl)methylamino]propan-1-ol
SMILES [?]:
c1cc(cc(c1)Cl)CNCCCO
InChi [?]:
InChI=1/C10H14ClNO/c11-10-4-1-3-9(7-10)8-12-5-2-6-13/h1,3-4,7,12-13H,2,5-6,8H2
InChi Info:
AuxInfo=1/0/N:1,11,2,6,10,12,4,8,3,5,7,9,13/rA:13nCCCCCCClCNCCCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14ClNO |
All Atoms: | 27 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.57479 |
Area: | 400.479 |
Solvation: | -2.43719 |
Coulombic: | -26.9741 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 199.677 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.81 |
LogP (Chemaxon): | 1.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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