Chemical ID: 6048520

c1ccc(cc1)CN2CCC(C2)CO
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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