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Chemical ID: 7089087
Chemical ID:
7089087
Name [?]:
2,5-dimethyl-1-phenyl-pyrrolidine
SMILES [?]:
CC1CCC(N1c2ccccc2)C
InChi [?]:
InChI=1/C12H17N/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,10,9,11,8,12,3,4,2,5,7,6/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:13cCCCCCNCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;d10;d7s11;s5;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17N |
All Atoms: | 30 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.41213 |
Area: | 337.117 |
Solvation: | -1.01581 |
Coulombic: | -8.00268 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 175.27 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.66 |
LogP (Chemaxon): | 3.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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