Chemical ID: 7086558

c1cc(cc(c1)Cl)CNCCCO
Chemical ID:
7086558
Name [?]:
3-[(3-chlorophenyl)methylamino]propan-1-ol
SMILES [?]:
c1cc(cc(c1)Cl)CNCCCO
InChi [?]:
InChI=1/C10H14ClNO/c11-10-4-1-3-9(7-10)8-12-5-2-6-13/h1,3-4,7,12-13H,2,5-6,8H2
InChi Info:
AuxInfo=1/0/N:1,11,2,6,10,12,4,8,3,5,7,9,13/rA:13nCCCCCCClCNCCCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14ClNO
All Atoms:27
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.57479
Area:400.479
Solvation:-2.43719
Coulombic:-26.9741
Bond Count [?]
All:13
Single:10
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:199.677
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.81
LogP (Chemaxon):1.7

Name Annotations

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Descriptor Annotations

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