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Chemical ID: 6048520
Chemical ID:
6048520
Name [?]:
(1-benzylpyrrolidin-3-yl)methanol
SMILES [?]:
c1ccc(cc1)CN2CCC(C2)CO
InChi [?]:
InChI=1/C12H17NO/c14-10-12-6-7-13(9-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,9,7,12,13,4,11,8,14/E:(2,3)(4,5)/rA:14cCCCCCCCNCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s8s11;s11;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.91593 |
Area: | 374.216 |
Solvation: | -2.43947 |
Coulombic: | -23.0666 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 191.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.44 |
LogP (Chemaxon): | 1.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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