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Chemical ID: 3966081
Chemical ID:
3966081
Name [?]:
1-(2-chlorophenyl)-2-isopropylamino-ethanol
SMILES [?]:
CC(C)NCC(c1ccccc1Cl)O
InChi [?]:
InChI=1/C11H16ClNO/c1-8(2)13-7-11(14)9-5-3-4-6-10(9)12/h3-6,8,11,13-14H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,9,10,8,11,5,2,7,12,6,13,4,14/E:(1,2)/rA:14cCCCNCCCCCCCCClO/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s6;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16ClNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.79956 |
Area: | 399.42 |
Solvation: | -2.18593 |
Coulombic: | -27.6184 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 213.704 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.43 |
LogP (Chemaxon): | 2.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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