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Chemical ID: 4350453
Chemical ID:
4350453
Name [?]:
3-phenylpyrrolidin-3-ol
SMILES [?]:
c1ccc(cc1)C2(CCNC2)O
InChi [?]:
InChI=1/C10H13NO/c12-10(6-7-11-8-10)9-4-2-1-3-5-9/h1-5,11-12H,6-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,8,9,11,4,7,10,12/E:(2,3)(4,5)/rA:12cCCCCCCCCCNCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s7s10;s7;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.18231 |
Area: | 321.515 |
Solvation: | -1.85557 |
Coulombic: | -27.6885 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 163.216 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 0.76 |
LogP (Chemaxon): | 0.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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