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Chemical ID: 3639253
Chemical ID:
3639253
Name [?]:
N-[(4-chlorophenyl)methyl]quinolin-5-amine
SMILES [?]:
c1cc2c(cccn2)c(c1)NCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C16H13ClN2/c17-13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19H,11H2
InChi Info:
AuxInfo=1/0/N:1,6,5,2,10,14,18,15,17,7,12,13,16,4,3,9,19,8,11/E:(6,7)(8,9)/rA:19nCCCCCCCNCCNCCCCCCCCl/rB:s1;d2;s3;s4;d5;s6;s3d7;d4;d1s9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13ClN2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.82768 |
Area: | 465.543 |
Solvation: | -1.8109 |
Coulombic: | -19.61 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 268.741 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.1 |
LogP (Chemaxon): | 4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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