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Chemical ID: 3967011
Chemical ID:
3967011
Name [?]:
3-(3,4-dichlorophenyl)-N-methyl-indan-1-amine
SMILES [?]:
CNC1CC(c2c1cccc2)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,11,8,13,14,17,4,12,6,7,5,15,16,3,19,18,2/rA:19cCNCCCCCCCCCCCCCCCClCl/rB:s1;s2;s3;s4;s5;s3s6;d7;s8;d9;d6s10;s5;s12;d13;s14;d15;d12s16;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15Cl2N |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.5514 |
Area: | 470.762 |
Solvation: | -1.21765 |
Coulombic: | -12.7459 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 292.202 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.58 |
LogP (Chemaxon): | 4.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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