Chemical ID: 4921577

CCOC(=O)C1C2C(c3ccccc3O2)c4cc(ccc4N1)Cl
Chemical ID:
4921577
Name [?]:
None
SMILES [?]:
CCOC(=O)C1C2C(c3ccccc3O2)c4cc(ccc4N1)Cl
InChi [?]:
InChI=1/C18H16ClNO3/c1-2-22-18(21)16-17-15(11-5-3-4-6-14(11)23-17)12-9-10(19)7-8-13(12)20-16/h3-9,15-17,20H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,12,10,13,19,20,17,18,9,16,21,14,8,6,7,4,23,22,5,3,15/rA:23cCCOCOCCCCCCCCCOCCCCCCNCl/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;d10;s11;d12;d9s13;s7s14;s8;s16;d17;s18;d19;d16s20;s6s21;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16ClNO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:3
ZAP Information [?]
Total:9.69776
Area:509.553
Solvation:-3.04105
Coulombic:-41.2933
Bond Count [?]
All:26
Single:19
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:329.777
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.6
LogP (Chemaxon):3.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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