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Chemical ID: 7086553
Chemical ID:
7086553
Name [?]:
1-[(3-chlorophenyl)methylamino]propan-2-ol
SMILES [?]:
CC(CNCc1cccc(c1)Cl)O
InChi [?]:
InChI=1/C10H14ClNO/c1-8(13)6-12-7-9-3-2-4-10(11)5-9/h2-5,8,12-13H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,7,9,11,3,5,2,6,10,12,4,13/rA:13cCCCNCCCCCCCClO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s2;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14ClNO |
All Atoms: | 27 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.08206 |
Area: | 392.502 |
Solvation: | -2.7305 |
Coulombic: | -26.5278 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 199.677 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.91 |
LogP (Chemaxon): | 2.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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