Chemical ID: 5044033

c1ccc2c(c1)CN3C(N2C(=O)CCCl)CCC3=O
Chemical ID:
5044033
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CN3C(N2C(=O)CCCl)CCC3=O
InChi [?]:
InChI=1/C14H15ClN2O2/c15-8-7-14(19)17-11-4-2-1-3-10(11)9-16-12(17)5-6-13(16)18/h1-4,12H,5-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,16,17,13,14,7,5,4,9,18,11,15,8,10,19,12/rA:19cCCCCCCCNCNCOCCClCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s10;d11;s11;s13;s14;s9;s16;s8s17;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15ClN2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.05987
Area:440.117
Solvation:-2.94305
Coulombic:-30.8924
Bond Count [?]
All:21
Single:16
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:278.734
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.49
LogP (Chemaxon):1.21

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Descriptor Annotations

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