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Chemical ID: 4506245
Chemical ID:
4506245
Name [?]:
[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
SMILES [?]:
COc1ccccc1CN2CCCC2CO
InChi [?]:
InChI=1/C13H19NO2/c1-16-13-7-3-2-5-11(13)9-14-8-4-6-12(14)10-15/h2-3,5,7,12,15H,4,6,8-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,12,7,13,4,11,9,15,8,14,3,10,16,2/rA:16cCOCCCCCCCNCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s10s13;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.29168 |
Area: | 385.729 |
Solvation: | -3.35156 |
Coulombic: | -29.6969 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 221.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.52 |
LogP (Chemaxon): | 1.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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