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Chemical ID: 7147827
Chemical ID:
7147827
Name [?]:
4-fluoro-N-[(2-methyl-1H-indol-3-yl)-(1H-pyridin-4-yl)methyl]-aniline
SMILES [?]:
Cc1c(c2ccccc2[nH]1)C(c3cc[nH+]cc3)Nc4ccc(cc4)F
InChi [?]:
InChI=1/C21H18FN3/c1-14-20(18-4-2-3-5-19(18)24-14)21(15-10-12-23-13-11-15)25-17-8-6-16(22)7-9-17/h2-13,21,24-25H,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,6,7,5,8,21,23,20,24,13,17,14,16,2,12,22,19,4,9,3,11,25,15,10,18/E:(6,7)(8,9)(10,11)(12,13)/rA:25cCCCCCCCCCNCCCCN+CCNCCCCCCF/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s3;s11;s12;d13;s14;d15;d12s16;s11;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19FN3+ |
All Atoms: | 44 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -23.4962 |
Area: | 518.813 |
Solvation: | -36.4665 |
Coulombic: | -17.5943 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 332.394 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.17 |
LogP (Chemaxon): | 4.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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