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Chemical ID: 3968545
Chemical ID:
3968545
Name [?]:
4-(3,4-dichlorophenyl)-N-methyl-tetralin-1-amine
SMILES [?]:
CNC1CCC(c2c1cccc2)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,14,5,15,4,18,13,6,7,8,16,17,3,20,19,2/rA:20cCNCCCCCCCCCCCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s3s7;d8;s9;d10;d7s11;s6;s13;d14;s15;d16;d13s17;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17Cl2N |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.723 |
Area: | 483.779 |
Solvation: | -1.37148 |
Coulombic: | -12.8037 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 306.229 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.14 |
LogP (Chemaxon): | 5.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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