Chemical ID: 3967011

CNC1CC(c2c1cccc2)c3ccc(c(c3)Cl)Cl
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

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Descriptor Annotations

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