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Chemical ID: 4122222
Chemical ID:
4122222
Name [?]:
N-[(4-fluorophenyl)methyl]cyclopentanamine
SMILES [?]:
c1cc(ccc1CNC2CCCC2)F
InChi [?]:
InChI=1/C12H16FN/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12/h5-8,12,14H,1-4,9H2
InChi Info:
AuxInfo=1/0/N:11,12,10,13,1,5,2,4,7,6,3,9,14,8/E:(1,2)(3,4)(5,6)(7,8)/rA:14nCCCCCCCNCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s9s12;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16FN |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.54307 |
Area: | 373.077 |
Solvation: | -1.78386 |
Coulombic: | -14.333 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 193.261 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.95 |
LogP (Chemaxon): | 2.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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