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Chemical ID: 5069866
Chemical ID:
5069866
Name [?]:
4-methyl-2-phenyl-pyrrolidine
SMILES [?]:
CC1CC(NC1)c2ccccc2
InChi [?]:
InChI=1/C11H15N/c1-9-7-11(12-8-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,11,8,12,3,6,2,7,4,5/E:(3,4)(5,6)/rA:12cCCCCNCCCCCCC/rB:s1;s2;s3;s4;s2s5;s4;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15N |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.45178 |
Area: | 334.095 |
Solvation: | -0.90059 |
Coulombic: | -11.0128 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 161.244 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.44 |
LogP (Chemaxon): | 2.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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