Chemical ID: 3994371

COC(=O)CC(c1ccc(cc1)Cl)N
Chemical ID:
3994371
Name [?]:
methyl 3-amino-3-(4-chlorophenyl)-propanoate
SMILES [?]:
COC(=O)CC(c1ccc(cc1)Cl)N
InChi [?]:
InChI=1/C10H12ClNO2/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,12,9,11,5,7,10,6,3,13,14,4,2/E:(2,3)(4,5)/rA:14cCOCOCCCCCCCCClN/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s10;s6;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12ClNO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.368
Area:395.405
Solvation:-2.51713
Coulombic:-31.0231
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:213.661
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.73
LogP (Chemaxon):1.51

Name Annotations

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Descriptor Annotations

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