Chemical ID: 3968545

CNC1CCC(c2c1cccc2)c3ccc(c(c3)Cl)Cl
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

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Descriptor Annotations

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