Chemical ID: 4247075

CNCCCOc1ccc(c(c1)Cl)Cl
Chemical ID:
4247075
Name [?]:
3-(3,4-dichlorophenoxy)-N-methyl-propan-1-amine
SMILES [?]:
CNCCCOc1ccc(c(c1)Cl)Cl
InChi [?]:
InChI=1/C10H13Cl2NO/c1-13-5-2-6-14-8-3-4-9(11)10(12)7-8/h3-4,7,13H,2,5-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,8,9,3,5,12,7,10,11,14,13,2,6/rA:14nCNCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s10;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13Cl2NO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.24684
Area:422.714
Solvation:-2.32101
Coulombic:-17.3198
Bond Count [?]
All:14
Single:11
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:234.122
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.15
LogP (Chemaxon):2.5

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Descriptor Annotations

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