Chemical ID: 3965435

c1ccc2c(c1)N=C(c3cc(ccc3O2)Cl)N4CCNCC4
Chemical ID:
3965435
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)N=C(c3cc(ccc3O2)Cl)N4CCNCC4
InChi [?]:
InChI=1/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,12,13,19,21,18,22,10,11,9,5,14,4,8,16,20,7,17,15/E:(7,8)(9,10)/rA:22nCCCCCCNCCCCCCCOClNCCNCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;d10;s11;d12;d9s13;s4s14;s11;s8;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16ClN3O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.55249
Area:478.892
Solvation:-2.41981
Coulombic:-30.3586
Bond Count [?]
All:25
Single:18
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:313.781
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.39
LogP (Chemaxon):3.5

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