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Chemical ID: 4479823
Chemical ID:
4479823
Name [?]:
N-[(4-fluorophenyl)methyl]pyridin-2-amine
SMILES [?]:
c1ccnc(c1)NCc2ccc(cc2)F
InChi [?]:
InChI=1/C12H11FN2/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h1-8H,9H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,14,11,13,3,8,9,12,5,15,4,7/E:(4,5)(6,7)/rA:15nCCCNCCNCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11FN2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.80108 |
Area: | 379.573 |
Solvation: | -2.68826 |
Coulombic: | -21.745 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 202.228 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.01 |
LogP (Chemaxon): | 2.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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