Chemical ID: 5817314

c1ccc(cc1)CN2CCCC2CO
Chemical ID:
5817314
Name [?]:
(1-benzylpyrrolidin-2-yl)methanol
SMILES [?]:
c1ccc(cc1)CN2CCCC2CO
InChi [?]:
InChI=1/C12H17NO/c14-10-12-7-4-8-13(12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,10,3,5,11,9,7,13,4,12,8,14/E:(2,3)(5,6)/rA:14cCCCCCCCNCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s8s11;s12;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:2
ZAP Information [?]
Total:6.87597
Area:366.771
Solvation:-2.29331
Coulombic:-23.4161
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:1.61
LogP (Chemaxon):1.89

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Descriptor Annotations

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